Unnamed: 0 int64 1 20.1k | Entry ID stringlengths 4 8 | Experimental Method stringclasses 4
values | Deposition Date stringdate 1990-04-02 00:00:00 2025-12-09 00:00:00 | Release Date stringdate 1991-07-15 00:00:00 2026-03-04 00:00:00 | Ligand stringclasses 339
values | Value float64 0.01 183M ⌀ | Type stringclasses 5
values | Unit stringclasses 2
values | PDB ID stringlengths 4 8 | Total Number of Non-polymer Instances float64 1 168 | Refinement Resolution (Å) stringclasses 466
values | Structure Determination Methodology stringclasses 1
value | DOI stringlengths 12 34 ⌀ | Expression Host stringclasses 33
values | Source Organism stringclasses 52
values | Macromolecule Name stringlengths 3 318 | Entity ID float64 1 16 | Ligand ID stringlengths 2 8 | Ligand Name stringlengths 5 339 | Ligand SMILES stringlengths 4 121 | Protein stringclasses 3
values | Molecular Weight float64 150 978 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
457 | 6LIM | X-RAY DIFFRACTION | 2019-12-12 | 2020-12-16 | null | null | null | null | 6LIM | 1 | 1.759095021 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EE9 | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one | CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C | BRD4 | 438.535 |
458 | 6RWJ | X-RAY DIFFRACTION | 2019-06-05 | 2020-12-09 | KLK | 641 | Kd | nM | 6RWJ | 1 | 1.4 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | KLK | ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O | BRD4 | 220.272 |
461 | 6S25 | X-RAY DIFFRACTION | 2019-06-20 | 2019-07-31 | null | null | null | null | 6S25 | 4 | 1.1 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | KSZ | ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC | BRD4 | 553.063 |
462 | 6S4B | X-RAY DIFFRACTION | 2019-06-27 | 2020-12-09 | KUH | 85 | Kd | nM | 6S4B | 3 | 1.6 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | KUH | ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC | BRD4 | 447.557 |
467 | 6SA2 | X-RAY DIFFRACTION | 2019-07-16 | 2020-12-09 | L25 | 80 | Kd | nM | 6SA2 | 3 | 1.5 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | L25 | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O | BRD4 | 461.54 |
469 | 6SA3 | X-RAY DIFFRACTION | 2019-07-16 | 2020-12-09 | L2N | 300 | Kd | nM | 6SA3 | 1 | 1.8 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | L2N | ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O | BRD4 | 474.583 |
471 | 6SAH | X-RAY DIFFRACTION | 2019-07-16 | 2020-12-09 | L2W | 50 | Kd | nM | 6SAH | 1 | 1.5 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | L2W | ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O | BRD4 | 459.568 |
473 | 6SAJ | X-RAY DIFFRACTION | 2019-07-16 | 2020-12-16 | L2Z | 150 | Kd | nM | 6SAJ | 4 | 1.5 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | L2Z | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O | BRD4 | 473.551 |
475 | 6SB8 | X-RAY DIFFRACTION | 2019-07-19 | 2020-12-09 | L45 | 70 | Kd | nM | 6SB8 | 2 | 1.5 | experimental | 10.1021/acs.jmedchem.0c00478 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | L45 | ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O | BRD4 | 433.53 |
478 | 6UWU | X-RAY DIFFRACTION | 2019-11-05 | 2020-04-15 | QKP | 84 | IC50 | nM | 6UWU | 6 | 2 | experimental | 10.1021/acs.jmedchem.0c00035 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QKP | 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one | Cc1cc(cc(c1OCC(CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3 | BRD4 | 482.577 |
487 | 7AJN | X-RAY DIFFRACTION | 2020-09-29 | 2020-12-02 | null | null | null | null | 7AJN | 2 | 1.48 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | RGW | ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide | Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C | BRD4 | 550.172 |
489 | 7AXR | X-RAY DIFFRACTION | 2020-11-10 | 2021-10-06 | S7T | 11,480 | Kd | nM | 7AXR | 2 | 1.5 | experimental | 10.1021/acs.jmedchem.1c01119 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | S7T | 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide | CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C | BRD4 | 357.41 |
491 | 7B1T | X-RAY DIFFRACTION | 2020-11-25 | 2022-06-08 | null | null | null | null | 7B1T | 3 | 1.92 | experimental | 10.1016/j.ejmech.2023.115139 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | SOK | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one | Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O | BRD4 | 286.762 |
492 | 7C6P | X-RAY DIFFRACTION | 2020-05-22 | 2021-05-12 | null | null | null | null | 7C6P | 1 | 1.73 | experimental | 10.1080/14756366.2021.1906663 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | SQH | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one | c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O | BRD4 | 286.239 |
493 | 7FH2 | X-RAY DIFFRACTION | 2021-07-29 | 2022-08-03 | null | null | null | null | 7FH2 | 8 | 2.492 | experimental | 10.1016/j.bcp.2021.114819 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 4JI | N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide | CC(=O)NCCc1cc(c(cc1C(=O)C=Cc2cc(ccc2OC)OC)OC)OC | BRD4 | 413.47 |
495 | 7JKX | X-RAY DIFFRACTION | 2020-07-29 | 2021-06-23 | null | null | null | null | 7JKX | 1 | 1.2 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | Y36 | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide | CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C | BRD4 | 542.665 |
496 | 7USJ | X-RAY DIFFRACTION | 2022-04-25 | 2023-01-18 | 82V | 1,547 | IC50 | nM | 7USJ | 2 | 2.08 | experimental | 10.1016/j.jconrel.2022.12.055 | Escherichia phage EcSzw-2 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 82V | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one | c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 | BRD4 | 371.414 |
499 | 7X6T | X-RAY DIFFRACTION | 2022-03-08 | 2023-03-22 | null | null | null | null | 7X6T | 1 | 1.44 | experimental | null | Escherichia coli | Homo sapiens | Isoform C of Bromodomain-containing protein 4, Protein HUNK1 | 1 | 97F | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide | Cc1nnc2n1nc(cc2NC(C)C(=O)N)c3ccccc3Oc4ccccc4 | BRD4 | 388.431 |
500 | 8B96 | X-RAY DIFFRACTION | 2022-10-05 | 2024-04-03 | null | null | null | null | 8B96 | 4 | 1.338 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | Q2F | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide | CCn1cnc2c1C(=O)NC(=O)N2CC3CCC(CC3)CNS(=O)(=O)c4ccc(c(c4)F)OC5CCOCC5 | BRD4 | 563.652 |
503 | 8B98 | X-RAY DIFFRACTION | 2022-10-05 | 2024-04-03 | null | null | null | null | 8B98 | 5 | 1.495 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | Q2F | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide | CCn1cnc2c1C(=O)NC(=O)N2CC3CCC(CC3)CNS(=O)(=O)c4ccc(c(c4)F)OC5CCOCC5 | BRD4 | 563.652 |
510 | 7Z9U | X-RAY DIFFRACTION | 2022-03-21 | 2022-11-23 | null | null | null | null | 7Z9U | 10 | 1.76 | experimental | 10.1021/acs.jmedchem.2c01357 | Escherichia coli BL21(DE3) | Homo sapiens | ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA | 1 | ARG | ARGININE | C(CC(C(=O)O)N)CNC(=[NH2+])N | BRD4 | 175.212 |
514 | 7Z9U | X-RAY DIFFRACTION | 2022-03-21 | 2022-11-23 | null | null | null | null | 7Z9U | 10 | 1.76 | experimental | 10.1021/acs.jmedchem.2c01357 | Escherichia coli BL21(DE3) | Homo sapiens | ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA | 1 | 8WS | (2S)-2,6-diacetamido-N-methyl-hexanamide | CC(=O)NCCCCC(C(=O)NC)NC(=O)C | BRD4 | 243.307 |
521 | 4NQM | X-RAY DIFFRACTION | 2013-11-25 | 2013-12-18 | Y1Z | 158 | IC50 | nM | 4NQM | 2 | 1.58 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | Y1Z | 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide | Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6 | BRD4 | 535.029 |
523 | 5D25 | X-RAY DIFFRACTION | 2015-08-05 | 2016-01-20 | null | null | null | null | 5D25 | 3 | 1.7 | experimental | 10.1021/acs.jmedchem.5b01267 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 56M | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide | CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O | BRD4 | 407.492 |
526 | 5D3S | X-RAY DIFFRACTION | 2015-08-06 | 2016-01-20 | null | null | null | null | 5D3S | 3 | 1.75 | experimental | 10.1021/acs.jmedchem.5b01267 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 579 | 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide | CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C | BRD4 | 437.493 |
529 | 5N2M | X-RAY DIFFRACTION | 2017-02-07 | 2018-02-28 | null | null | null | null | 5N2M | 3 | 1.54 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 8J2 | propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | CC1CC(c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C | BRD4 | 423.513 |
533 | 5Y8Y | X-RAY DIFFRACTION | 2017-08-21 | 2018-06-13 | null | null | null | null | 5Y8Y | 6 | 1.87 | experimental | 10.1021/acs.jmedchem.8b00103 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 8PX | 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide | Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br | BRD4 | 427.276 |
534 | 6DJC | X-RAY DIFFRACTION | 2018-05-25 | 2018-07-25 | null | null | null | null | 6DJC | 9 | 1.46 | experimental | 10.1073/pnas.1720000115 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | CF6 | N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C | BRD4 | 938.068 |
536 | 6DNE | X-RAY DIFFRACTION | 2018-06-06 | 2018-07-18 | null | null | null | null | 6DNE | 1 | 2.958 | experimental | 10.1073/pnas.1720000115 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | H1V | N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C | BRD4 | 913.958 |
537 | 6FO5 | X-RAY DIFFRACTION | 2018-02-06 | 2018-06-20 | DZH | 251 | IC50 | nM | 6FO5 | 2 | 0.95 | experimental | 10.1021/acs.jmedchem.8b00653 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | DZH | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5 | BRD4 | 522.587 |
543 | 7C2Z | X-RAY DIFFRACTION | 2020-05-10 | 2021-05-12 | null | null | null | null | 7C2Z | 2 | 1.3 | experimental | 10.1080/14756366.2021.1906663 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | SQH | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one | c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O | BRD4 | 286.239 |
546 | 7KHL | X-RAY DIFFRACTION | 2020-10-21 | 2021-02-24 | null | null | null | null | 7KHL | 2 | 1.286 | experimental | 10.1021/acs.jmedchem.0c01846 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | WEM | methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C | BRD4 | 514.51 |
547 | 7R5B | X-RAY DIFFRACTION | 2022-02-10 | 2023-02-08 | null | null | null | null | 7R5B | 4 | 1.77 | experimental | 10.1016/j.ejmech.2023.115139 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | I5K | 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one | Cc1c2c(c([nH]1)c3cccc(c3)N)CCCCC2=O | BRD4 | 254.333 |
550 | 7R5B | X-RAY DIFFRACTION | 2022-02-10 | 2023-02-08 | null | null | null | null | 7R5B | 4 | 1.77 | experimental | 10.1016/j.ejmech.2023.115139 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | P6G | HEXAETHYLENE GLYCOL | C(COCCOCCOCCOCCOCCO)O | BRD4 | 282.333 |
553 | 8GPZ | X-RAY DIFFRACTION | 2022-08-27 | 2023-01-18 | null | null | null | null | 8GPZ | 4 | 1.528 | experimental | 10.1038/s41598-023-37527-w | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | KC3 | 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine | Cc1nnc2n1nc(cc2)N3CCC(CC3)C | BRD4 | 231.303 |
556 | 8GQ0 | X-RAY DIFFRACTION | 2022-08-27 | 2023-01-18 | null | null | null | null | 8GQ0 | 9 | 1.44 | experimental | 10.1038/s41598-023-37527-w | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | KCL | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | Cc1nnc2n1nc(cc2)NCCc3c[nH]c4c3cccc4 | BRD4 | 292.346 |
562 | 9F1K | X-RAY DIFFRACTION | 2024-04-19 | 2024-09-11 | null | null | null | null | 9F1K | 2 | 1.61 | experimental | 10.1021/acs.jmedchem.5c00395 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | A1H81 | 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOC)CCc5ccc(cc5)OCCCN(C)C | BRD4 | 645.849 |
564 | 9F1L | X-RAY DIFFRACTION | 2024-04-19 | 2024-09-11 | null | null | null | null | 9F1L | 5 | 1.300006254 | experimental | 10.1021/acs.jmedchem.5c00395 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | A1H83 | N-[2-[2-[(3R)-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethyl]-2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanamide | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)CCc8ccc(cc8)OCCCN(C)C | BRD4 | 888.039 |
572 | 4O75 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O75 | 3 | 1.55 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RC | [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C | BRD4 | 580.466 |
577 | 7USG | X-RAY DIFFRACTION | 2022-04-25 | 2023-01-18 | null | null | null | null | 7USG | 4 | 1.2 | experimental | 10.1016/j.jconrel.2022.12.055 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein | 1 | O6O | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one | c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4ccc5c(c4)OCCO5 | BRD4 | 365.385 |
580 | 7USH | X-RAY DIFFRACTION | 2022-04-25 | 2023-01-18 | null | null | null | null | 7USH | 6 | 1.27 | experimental | 10.1016/j.jconrel.2022.12.055 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein | 1 | 82V | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one | c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2 | BRD4 | 371.414 |
584 | 2YEL | X-RAY DIFFRACTION | 2011-03-25 | 2011-06-15 | WSH | 52.5 | Kd | nM | 2YEL | 2 | 1.65 | experimental | 10.1021/JM200108T | Escherichia coli | Homo sapiens | HUMAN BRD4, PROTEIN HUNK1 | 1 | WSH | BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE | Cc1nnc2n1-c3ccccc3C(=NC2NC(=O)OCc4ccccc4)c5ccccc5 | BRD4 | 423.476 |
591 | 3P5O | X-RAY DIFFRACTION | 2010-10-09 | 2010-11-17 | EAM | 23 | Ki | nM | 3P5O | 5 | 1.6 | experimental | 10.1038/nature09589 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EAM | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide | CCNC(=O)CC1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C | BRD4 | 423.904 |
636 | 3U5L | X-RAY DIFFRACTION | 2011-10-11 | 2011-11-23 | 08K | 640 | Kd | nM | 3U5L | 2 | 1.39 | experimental | 10.1016/j.bmc.2011.10.080 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 08K | 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine | Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl | BRD4 | 323.787 |
641 | 4J0S | X-RAY DIFFRACTION | 2013-01-31 | 2013-02-13 | 1H3 | 390 | Kd | nM | 4J0S | 5 | 1.84 | experimental | 10.1021/jm301588r | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1H3 | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol | Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3ccccc3)O | BRD4 | 295.338 |
643 | 4LRG | X-RAY DIFFRACTION | 2013-07-19 | 2013-08-07 | 1XB | 140 | IC50 | nM | 4LRG | 1 | 2.21 | experimental | 10.1021/ml4001485 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1XB | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide | Cc1c(sc-2c1C(=NC(c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C | BRD4 | 399.903 |
646 | 4LYS | X-RAY DIFFRACTION | 2013-07-31 | 2014-01-15 | null | null | null | null | 4LYS | 3 | 1.83 | experimental | 10.1002/anie.201307652 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2SJ | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC | BRD4 | 385.416 |
647 | 4LYW | X-RAY DIFFRACTION | 2013-07-31 | 2014-01-15 | null | null | null | null | 4LYW | 1 | 1.95 | experimental | 10.1002/anie.201307652 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 21Q | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C | BRD4 | 421.519 |
648 | 4LZR | X-RAY DIFFRACTION | 2013-08-01 | 2014-01-15 | null | null | null | null | 4LZR | 1 | 1.85 | experimental | 10.1002/anie.201307652 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | LOC | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC | BRD4 | 399.443 |
649 | 4LZS | X-RAY DIFFRACTION | 2013-08-01 | 2014-01-15 | L46 | 24,000 | Kd | nM | 4LZS | 1 | 2.2 | experimental | 10.1002/anie.201307652 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | L46 | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide | CCc1c(c([nH]c1C(=O)NC)C)C(=O)C | BRD4 | 208.261 |
651 | 4QZS | X-RAY DIFFRACTION | 2014-07-28 | 2014-10-29 | null | null | null | null | 4QZS | 4 | 1.45 | experimental | 10.1021/cb5007344 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | JQ1 | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | Cc1c(sc-2c1C(=NC(c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C | BRD4 | 458.007 |
655 | 4UIY | X-RAY DIFFRACTION | 2015-04-03 | 2015-04-22 | null | null | null | null | 4UIY | 4 | 1.3 | experimental | 10.1021/ACS.JMEDCHEM.5B00256 | Escherichia coli | Homo sapiens | BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4 | 1 | 5V2 | N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F | BRD4 | 483.537 |
657 | 4UIZ | X-RAY DIFFRACTION | 2015-04-03 | 2015-04-22 | null | null | null | null | 4UIZ | 3 | 1.19 | experimental | 10.1021/ACS.JMEDCHEM.5B00256 | Escherichia coli | Homo sapiens | BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4 | 1 | N1D | 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one | CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC | BRD4 | 491.591 |
658 | 4XY9 | X-RAY DIFFRACTION | 2015-02-02 | 2015-03-11 | null | null | null | null | 4XY9 | 2 | 1.83 | experimental | 10.1021/jm501893k | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1, BRD4 | 1 | 43U | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine | COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br | BRD4 | 320.15 |
660 | 4XYA | X-RAY DIFFRACTION | 2015-02-02 | 2015-03-11 | null | null | null | null | 4XYA | 2 | 2.05 | experimental | 10.1021/jm501893k | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1, BRD4 | 1 | 43S | 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine | c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br | BRD4 | 330.145 |
663 | 5A5S | X-RAY DIFFRACTION | 2015-06-20 | 2015-07-22 | null | null | null | null | 5A5S | 2 | 1.36 | experimental | 10.1021/ACS.JMEDCHEM.5B00772 | Escherichia coli | Homo sapiens | BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4 | 1 | NP8 | 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one | CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC | BRD4 | 365.437 |
667 | 5COI | X-RAY DIFFRACTION | 2015-07-20 | 2016-01-13 | null | null | null | null | 5COI | 1 | 1.62 | experimental | 10.1021/acs.jmedchem.5b01511 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 55K | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O | BRD4 | 402.472 |
670 | 5CP5 | X-RAY DIFFRACTION | 2015-07-21 | 2016-01-13 | null | null | null | null | 5CP5 | 3 | 1.79 | experimental | 10.1021/acs.jmedchem.5b01511 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EB0 | 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F | BRD4 | 370.405 |
672 | 5CPE | X-RAY DIFFRACTION | 2015-07-21 | 2016-01-13 | null | null | null | null | 5CPE | 3 | 1.62 | experimental | 10.1021/acs.jmedchem.5b01511 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EB2 | N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4 | BRD4 | 372.49 |
673 | 5CQT | X-RAY DIFFRACTION | 2015-07-22 | 2016-01-13 | null | null | null | null | 5CQT | 1 | 1.6 | experimental | 10.1021/acs.jmedchem.5b01511 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EB3 | N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4 | BRD4 | 358.463 |
674 | 5CTL | X-RAY DIFFRACTION | 2015-07-24 | 2016-01-13 | null | null | null | null | 5CTL | 1 | 2.51 | experimental | 10.1021/acs.jmedchem.5b01511 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EB9 | N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4 | BRD4 | 352.415 |
675 | 5DLZ | X-RAY DIFFRACTION | 2015-09-07 | 2016-06-01 | null | null | null | null | 5DLZ | 1 | 1.7 | experimental | 10.1021/acschembio.6b00286 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5D1 | N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide | Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C | BRD4 | 461.606 |
677 | 5EI4 | X-RAY DIFFRACTION | 2015-10-29 | 2016-01-20 | null | null | null | null | 5EI4 | 2 | 1.05 | experimental | 10.1021/acs.jmedchem.5b01708 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5NV | 8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione | CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N | BRD4 | 432.897 |
678 | 5F5Z | X-RAY DIFFRACTION | 2015-12-04 | 2017-04-05 | 5VY | 316 | IC50 | nM | 5F5Z | 3 | 1.76 | experimental | 10.1158/1535-7163.MCT-16-0568-T | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5VY | 2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide | Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C | BRD4 | 509.68 |
703 | 5F63 | X-RAY DIFFRACTION | 2015-12-04 | 2017-02-08 | 5W2 | 9.55 | IC50 | nM | 5F63 | 3 | 1.45 | experimental | 10.1158/1535-7163.MCT-16-0568-T | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5W2 | 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide | Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C | BRD4 | 604.152 |
709 | 5KJ0 | X-RAY DIFFRACTION | 2016-06-17 | 2017-08-09 | 6TB | 100 | IC50 | nM | 5KJ0 | 8 | 1.51 | experimental | 10.1002/cmdc.201600502 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 6TB | 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide | CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C | BRD4 | 535.693 |
714 | 5LJ2 | X-RAY DIFFRACTION | 2016-07-17 | 2016-08-31 | null | null | null | null | 5LJ2 | 4 | 1.19 | experimental | 10.1002/anie.201603928 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 6XW | 5-(5-aminopyridin-3-yl)-8-(((3R,4R)-3-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1H)-one | CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N | BRD4 | 512.636 |
715 | 5M39 | X-RAY DIFFRACTION | 2016-10-14 | 2017-09-27 | 7EA | 24,000 | IC50 | nM | 5M39 | 2 | 1.38 | experimental | 10.1021/acs.jmedchem.7b00845 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7EA | 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine | Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC | BRD4 | 270.292 |
716 | 5MLI | X-RAY DIFFRACTION | 2016-12-06 | 2017-12-20 | 82I | 125,893 | IC50 | nM | 5MLI | 1 | 1.63 | experimental | 10.1021/acs.jmedchem.6b01566 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 82I | 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one | CNC1=C(C(=O)N(N=C1)C)Cl | BRD4 | 173.603 |
717 | 5OVB | X-RAY DIFFRACTION | 2017-08-28 | 2018-10-10 | null | null | null | null | 5OVB | 2 | 1.95 | experimental | 10.1021/acscentsci.7b00401 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | AY2 | ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C | BRD4 | 429.476 |
718 | 5OWM | X-RAY DIFFRACTION | 2017-09-01 | 2018-10-10 | null | null | null | null | 5OWM | 1 | 1.5 | experimental | 10.1021/acscentsci.7b00401 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | B0N | [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol | Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO | BRD4 | 253.305 |
719 | 5VOM | X-RAY DIFFRACTION | 2017-05-03 | 2017-08-02 | 9GY | 790 | IC50 | nM | 5VOM | 2 | 1.67 | experimental | 10.1021/acsmedchemlett.7b00191 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 9GY | 3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide | CC1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4 | BRD4 | 417.465 |
722 | 5Y1Y | X-RAY DIFFRACTION | 2017-07-21 | 2017-11-15 | null | null | null | null | 5Y1Y | 1 | 1.912 | experimental | 10.1039/c7ob02369c | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | HNQ | 5-nitroquinolin-8-ol | c1cc2c(ccc(c2nc1)O)[N+](=O)[O-] | BRD4 | 190.158 |
723 | 5Z5T | X-RAY DIFFRACTION | 2018-01-20 | 2019-01-23 | null | null | null | null | 5Z5T | 1 | 1.991 | experimental | 10.1038/s41389-018-0093-z | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 96R | 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol | c1cc2c(cc(nc2c(c1)O)N)n3ccnc3 | BRD4 | 226.239 |
724 | 5Z5U | X-RAY DIFFRACTION | 2018-01-20 | 2019-01-23 | null | null | null | null | 5Z5U | 1 | 1.631 | experimental | 10.1038/s41389-018-0093-z | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 96U | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol | c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N | BRD4 | 242.238 |
725 | 5Z5V | X-RAY DIFFRACTION | 2018-01-20 | 2019-01-23 | null | null | null | null | 5Z5V | 1 | 1.66 | experimental | 10.1038/s41389-018-0093-z | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 96X | N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide | CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3 | BRD4 | 282.303 |
726 | 6AFR | X-RAY DIFFRACTION | 2018-08-08 | 2018-12-12 | 9.00E+03 | 70 | IC50 | nM | 6AFR | 1 | 1.998 | experimental | 10.1016/j.ejmech.2018.11.018 | Escherichia coli K-12 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 9.00E+03 | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol | c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F | BRD4 | 243.241 |
727 | 6CJ2 | X-RAY DIFFRACTION | 2018-02-26 | 2019-03-06 | null | null | null | null | 6CJ2 | 1 | 1.47 | experimental | 10.1021/acschembio.7b00638 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | X27 | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C | BRD4 | 487.608 |
728 | 6CKR | X-RAY DIFFRACTION | 2018-02-28 | 2018-05-02 | null | null | null | null | 6CKR | 2 | 1.62 | experimental | 10.1016/j.bmcl.2018.04.016 | Escherichia coli K-12 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | F5V | N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C | BRD4 | 408.483 |
729 | 6CKS | X-RAY DIFFRACTION | 2018-02-28 | 2018-05-02 | null | null | null | null | 6CKS | 1 | 1.72 | experimental | 10.1016/j.bmcl.2018.04.016 | Escherichia coli K-12 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | F5Y | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one | CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC | BRD4 | 437.521 |
733 | 6FFD | X-RAY DIFFRACTION | 2018-01-06 | 2019-01-30 | null | null | null | null | 6FFD | 1 | 1.83 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | D7T | 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone | Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C | BRD4 | 280.371 |
734 | 6HDQ | X-RAY DIFFRACTION | 2018-08-18 | 2018-09-26 | FZE | 5,012 | IC50 | nM | 6HDQ | 2 | 1.7 | experimental | 10.1021/acs.jmedchem.8b00862 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | FZE | 8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one | Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)NC4CC5CCC(C4CCC6CCC(CC6)(F)F)N5 | BRD4 | 521.656 |
736 | 6JJ3 | X-RAY DIFFRACTION | 2019-02-25 | 2020-01-22 | null | null | null | null | 6JJ3 | 1 | 1.718 | experimental | 10.1021/acs.jmedchem.9b01010 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | BS6 | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide | CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C | BRD4 | 467.551 |
737 | 6JJB | X-RAY DIFFRACTION | 2019-02-25 | 2020-01-22 | null | null | null | null | 6JJB | 1 | 1.508 | experimental | 10.1021/acs.jmedchem.9b01010 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | BT0 | 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide | CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC | BRD4 | 368.414 |
738 | 6LG4 | X-RAY DIFFRACTION | 2019-12-04 | 2020-12-09 | null | null | null | null | 6LG4 | 1 | 1.85 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EC0 | 7-chloranyl-5-nitro-quinolin-8-ol | c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-] | BRD4 | 224.603 |
739 | 6LG5 | X-RAY DIFFRACTION | 2019-12-04 | 2020-12-09 | null | null | null | null | 6LG5 | 1 | 1.83 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EC3 | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one | c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl | BRD4 | 276.723 |
740 | 6LG6 | X-RAY DIFFRACTION | 2019-12-04 | 2020-12-09 | null | null | null | null | 6LG6 | 1 | 1.98 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EC9 | N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide | CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3 | BRD4 | 294.314 |
741 | 6LG7 | X-RAY DIFFRACTION | 2019-12-04 | 2020-12-09 | null | null | null | null | 6LG7 | 1 | 1.83 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | ECF | 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol | c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N | BRD4 | 244.229 |
742 | 6LG8 | X-RAY DIFFRACTION | 2019-12-04 | 2020-12-09 | null | null | null | null | 6LG8 | 1 | 1.58 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | ECR | 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol | c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F | BRD4 | 244.229 |
743 | 6LG9 | X-RAY DIFFRACTION | 2019-12-04 | 2020-12-09 | null | null | null | null | 6LG9 | 1 | 1.81 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | ECU | 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol | c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br | BRD4 | 305.135 |
744 | 6PRT | X-RAY DIFFRACTION | 2019-07-11 | 2019-11-27 | null | null | null | null | 6PRT | 1 | 1.3 | experimental | 10.1016/j.bmc.2019.115157 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | OWA | methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate | CN1CC(CC1=O)CC(=O)OC | BRD4 | 171.196 |
745 | 6PS9 | X-RAY DIFFRACTION | 2019-07-12 | 2019-11-27 | null | null | null | null | 6PS9 | 1 | 1.21 | experimental | 10.1016/j.bmc.2019.115157 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | Y17 | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | CN1CC(CC1=O)CCn2c3ccccc3c4c2CCNC4=O | BRD4 | 311.385 |
746 | 6PSB | X-RAY DIFFRACTION | 2019-07-12 | 2019-11-27 | null | null | null | null | 6PSB | 1 | 1.59 | experimental | 10.1016/j.bmc.2019.115157 | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | Y18 | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | CN1CC(CC1=O)Cn2c3ccccc3c4c2CCNC4=O | BRD4 | 297.358 |
747 | 6SWQ | X-RAY DIFFRACTION | 2019-09-22 | 2020-04-01 | LW5 | 63,096 | IC50 | nM | 6SWQ | 4 | 1.601 | experimental | 10.1126/science.aaz8455 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | LW5 | 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide | CC(c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O | BRD4 | 414.477 |
750 | 6UVM | X-RAY DIFFRACTION | 2019-11-03 | 2020-01-01 | null | null | null | null | 6UVM | 2 | 1.51 | experimental | 10.1021/acsmedchemlett.9b00414 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QJA | 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one | CC(=O)N1CCC(SC=C1)c2cccs2 | BRD4 | 239.365 |
753 | 6UWX | X-RAY DIFFRACTION | 2019-11-05 | 2020-01-01 | QKD | 290,000 | Kd | nM | 6UWX | 2 | 1.307 | experimental | 10.1021/acsmedchemlett.9b00414 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QKD | ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate | CCOC(=O)N1CCC(SCC1)c2cccs2 | BRD4 | 271.407 |
754 | 6V0U | X-RAY DIFFRACTION | 2019-11-19 | 2020-03-11 | BMF | 42 | Kd | nM | 6V0U | 2 | 1.4 | experimental | 10.1021/acs.jmedchem.9b01980 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | BMF | Bromosporine | CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C | BRD4 | 404.452 |
759 | 6V1K | X-RAY DIFFRACTION | 2019-11-20 | 2020-03-11 | 5SW | 10,000 | Kd | nM | 6V1K | 6 | 1.75 | experimental | 10.1021/acs.jmedchem.9b01980 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5SW | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one | CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC | BRD4 | 353.422 |
762 | 6V1L | X-RAY DIFFRACTION | 2019-11-20 | 2020-03-11 | 5U6 | 100,000 | IC50 | nM | 6V1L | 1 | 2.1 | experimental | 10.1021/acs.jmedchem.9b01980 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5U6 | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one | CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC | BRD4 | 353.422 |
765 | 6V1U | X-RAY DIFFRACTION | 2019-11-21 | 2020-03-11 | QMG | 990 | Kd | nM | 6V1U | 2 | 1.73 | experimental | 10.1021/acs.jmedchem.9b01980 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QMG | 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide | Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4 | BRD4 | 333.391 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.