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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,914 | 5ALI | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALI | 7 | 1.85 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | Q3B | 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea | COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)CC4CCCO4)c5nc6c(ncnc6s5)N | sEH | 542.625 |
1,917 | 5ALJ | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALJ | 5 | 2.1 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | T5J | 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol | Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C | sEH | 282.318 |
1,920 | 5ALK | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALK | 4 | 2.33 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | WMR | 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine | CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C | sEH | 290.436 |
1,923 | 5ALL | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | II6 | 2,680 | IC50 | nM | 5ALL | 6 | 2.2 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | SOLUBLE EPOXIDE HYDROLASE | 1 | II6 | [(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol | CC1CC(CC(C1)CO)CN | sEH | 157.257 |
1,925 | 5ALM | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | 7GM | 290 | IC50 | nM | 5ALM | 4 | 2 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | 7GM | (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine | CC1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC | sEH | 277.433 |
1,928 | 5ALN | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALN | 7 | 2 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | 5ZM | 5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE | CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C | sEH | 255.292 |
1,930 | 5ALO | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | A0J | 740 | IC50 | nM | 5ALO | 4 | 2 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | A0J | 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE | CC1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4 | sEH | 317.392 |
1,934 | 5ALP | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALP | 7 | 2.06 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | QYD | N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE | c1ccc(cc1)C2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-] | sEH | 343.408 |
1,936 | 5ALQ | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALQ | 3 | 2.78 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | GZP | 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL | c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O | sEH | 228.295 |
1,938 | 5ALR | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALR | 4 | 2.6 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | 8TM | N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE | c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F | sEH | 321.327 |
1,940 | 5ALS | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALS | 4 | 2.57 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE | 1 | 5DQ | N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE | c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F | sEH | 410.421 |
1,944 | 5ALT | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | 9XZ | 13,100 | IC50 | nM | 5ALT | 7 | 2.15 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | 9XZ | 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine | Cn1nc(nn1)c2cc(cnc2N)c3ccsc3 | sEH | 258.31 |
1,945 | 5ALU | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALU | 7 | 1.87 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | HD2 | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide | c1c(c(nc(n1)NC2CCOC2)C3CCCC3)C(=O)NC4C5CC6CC4CC(C6)(C5)O | sEH | 426.561 |
1,948 | 5ALV | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5ALV | 4 | 1.8 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | 6TZ | 3-(3-fluorophenyl)-1H-pyrazole | c1cc(cc(c1)F)c2cc[nH]n2 | sEH | 162.167 |
1,951 | 5ALW | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | JQN | 7,050 | IC50 | nM | 5ALW | 4 | 2.2 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | JQN | 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one | Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3 | sEH | 297.379 |
1,954 | 5ALX | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | DUL | 3,280 | IC50 | nM | 5ALX | 4 | 2.23 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | DUL | 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide | CCSc1cccc(c1)c2ccc(s2)C(=O)N | sEH | 263.387 |
1,957 | 5ALY | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | B7H | 180 | IC50 | nM | 5ALY | 8 | 1.9 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | B7H | 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile | Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N | sEH | 284.294 |
1,962 | 5AM0 | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | LWS | 1,320 | IC50 | nM | 5AM0 | 6 | 1.88 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | LWS | 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one | CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C | sEH | 258.296 |
1,965 | 5AM1 | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | I5T | 3 | IC50 | nM | 5AM1 | 5 | 2.15 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | I5T | 4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide | c1ccc(cc1)C2CC2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4 | sEH | 376.456 |
1,969 | 5AM2 | X-RAY DIFFRACTION | 2015-03-08 | 2015-05-13 | null | null | null | null | 5AM2 | 8 | 1.7 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | KUF | 7-METHYL-2H-ISOQUINOLIN-1-ONE | Cc1ccc2c(c1)C(=O)NC=C2 | sEH | 159.188 |
1,981 | 5AM4 | X-RAY DIFFRACTION | 2015-03-09 | 2015-05-13 | MVJ | 110 | IC50 | nM | 5AM4 | 10 | 1.87 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | MVJ | 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one | c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2 | sEH | 285.387 |
1,983 | 5AM5 | X-RAY DIFFRACTION | 2015-03-09 | 2015-05-13 | 6NZ | 1,820 | IC50 | nM | 5AM5 | 5 | 2.26 | experimental | 10.1016/J.DRUDIS.2015.04.005 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH | 1 | 6NZ | 5-cyclohexyl-3-propyl-1H-pyridin-2-one | CCCC1=CC(=CNC1=O)C2CCCCC2 | sEH | 219.328 |
1,985 | 5FP0 | X-RAY DIFFRACTION | 2015-11-26 | 2016-03-02 | null | null | null | null | 5FP0 | 2 | 2.35 | experimental | 10.1002/CMDC.201500575 | Spodoptera frugiperda | Homo sapiens | BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE | 1 | SZC | N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide | c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F | sEH | 409.433 |
1,987 | 5MWA | X-RAY DIFFRACTION | 2017-01-18 | 2018-02-28 | null | null | null | null | 5MWA | 2 | 1.55 | experimental | 10.1021/acs.jmedchem.9b00445 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | 8S9 | 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid | c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl | sEH | 410.256 |
1,994 | 6FR2 | X-RAY DIFFRACTION | 2018-02-15 | 2018-09-12 | null | null | null | null | 6FR2 | 2 | 2.262 | experimental | 10.1016/j.bioorg.2018.07.014 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | E3N | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea | CC(C)S(=O)(=O)N1CCC2(CC1)CC(CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F | sEH | 493.548 |
1,997 | 6HGV | X-RAY DIFFRACTION | 2018-08-23 | 2019-07-03 | G3Q | 2,800 | IC50 | nM | 6HGV | 2 | 2 | experimental | 10.1021/acsmedchemlett.9b00075 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | G3Q | R-Talinolol | CC(C)(C)NCC(COc1ccc(cc1)NC(=O)NC2CCCCC2)O | sEH | 363.502 |
1,998 | 6HGW | X-RAY DIFFRACTION | 2018-08-23 | 2019-08-07 | G3W | 3,600 | IC50 | nM | 6HGW | 1 | 2.407 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | G3W | 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine | c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F | sEH | 321.395 |
2,000 | 6HGX | X-RAY DIFFRACTION | 2018-08-23 | 2019-07-03 | G3T | 77 | IC50 | nM | 6HGX | 2 | 2.16 | experimental | 10.1021/acsmedchemlett.9b00075 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | G3T | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea | CC(C)(C)N1CCOC(C1)COc2ccc(cc2)NC(=O)NC3CCCCC3 | sEH | 389.54 |
2,003 | 6I5G | X-RAY DIFFRACTION | 2018-11-13 | 2019-05-29 | null | null | null | null | 6I5G | 14 | 2 | experimental | 10.1038/s42003-019-0426-2 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | PTG | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid | CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O | sEH | 316.441 |
2,004 | 6YL4 | X-RAY DIFFRACTION | 2020-04-06 | 2020-10-21 | OWW | 7 | IC50 | nM | 6YL4 | 1 | 2.001 | experimental | 10.1021/acs.jmedchem.0c00561 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | OWW | 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide | CC(C#Cc1cccc(c1)C(=O)NCCC(c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O | sEH | 525.527 |
2,005 | 7A7G | X-RAY DIFFRACTION | 2020-08-28 | 2021-08-04 | TK9 | 330 | IC50 | nM | 7A7G | 2 | 2.4 | experimental | 10.1021/acs.jmedchem.0c02063 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | TK9 | (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid | CCC(Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O | sEH | 409.404 |
2,007 | 7EBA | X-RAY DIFFRACTION | 2021-03-09 | 2022-03-09 | null | null | null | null | 7EBA | 2 | 2.3 | experimental | 10.1073/pnas.2118818119 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | J0U | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one | CC(=CCC(Cc1c(cc(c2c1OC(CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C | sEH | 438.52 |
2,008 | 7P4K | X-RAY DIFFRACTION | 2021-07-11 | 2022-07-06 | 5IV | 8 | IC50 | nM | 7P4K | 2 | 2.15 | experimental | 10.1021/acs.jmedchem.1c01331 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | 5IV | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5 | sEH | 545.558 |
2,009 | 8QMZ | X-RAY DIFFRACTION | 2023-09-25 | 2024-02-14 | null | null | null | null | 8QMZ | 20 | 1.47 | experimental | 10.1126/science.adm8095 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | W6O | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide | Cc1ccc(cc1)S(=O)(=O)N2CC3CC(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl | sEH | 467.418 |
2,011 | 8QN0 | X-RAY DIFFRACTION | 2023-09-25 | 2024-02-14 | null | null | null | null | 8QN0 | 8 | 1.49 | experimental | 10.1126/science.adm8095 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | WJ5 | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide | Cc1ccc(cc1)S(=O)(=O)N2CC3CN(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl | sEH | 468.406 |
2,013 | 8QVF | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVF | 1 | 2.4 | experimental | 10.1107/S2052252524006134 | Spodoptera | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | XQ9 | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea | CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3 | sEH | 355.504 |
2,014 | 8QVG | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVG | 1 | 2.2 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | 6N8 | N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE | c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3 | sEH | 304.393 |
2,015 | 8QVH | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVH | 1 | 2.24 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | AUB | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid | c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4 | sEH | 412.53 |
2,016 | 8QVK | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVK | 1 | 2.1 | experimental | 10.1107/S2052252524006134 | Spodoptera | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | 6N0 | N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F | sEH | 378.4 |
2,017 | 8QVL | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVL | 4 | 2.14 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | 4VY | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL | CN(CCO)c1ccc(cn1)Br | sEH | 231.093 |
2,019 | 8QVL | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVL | 4 | 2.14 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | sEH | 150.174 |
2,020 | 8QVM | X-RAY DIFFRACTION | 2023-10-18 | 2024-08-14 | null | null | null | null | 8QVM | 1 | 2 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | sEH | 150.174 |
2,021 | 8QWG | X-RAY DIFFRACTION | 2023-10-19 | 2024-08-14 | null | null | null | null | 8QWG | 1 | 2.2 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | sEH | 150.174 |
2,023 | 8QWI | X-RAY DIFFRACTION | 2023-10-19 | 2024-08-14 | null | null | null | null | 8QWI | 2 | 2.12 | experimental | 10.1107/S2052252524006134 | Spodoptera frugiperda | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | 6N4 | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL | c1ccc2c(c1)[nH]c(n2)SCCO | sEH | 194.259 |
2,025 | 8QZD | X-RAY DIFFRACTION | 2023-10-27 | 2024-02-28 | null | null | null | null | 8QZD | 14 | 1.3 | experimental | 10.1021/acs.jmedchem.3c02245 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | XDZ | 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide | c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F | sEH | 445.279 |
2,027 | 8S75 | X-RAY DIFFRACTION | 2024-02-29 | 2025-03-12 | null | null | null | null | 8S75 | 10 | 1.42 | experimental | null | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | PG4 | TETRAETHYLENE GLYCOL | C(COCCOCCOCCO)O | sEH | 194.227 |
2,029 | 8S75 | X-RAY DIFFRACTION | 2024-02-29 | 2025-03-12 | null | null | null | null | 8S75 | 10 | 1.42 | experimental | null | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | A1H5L | ~{N}-[2-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]cyclohexyl]oxy-benzamide | c1cc2c(c(c1)OCC(=O)NCCOCCOCCOCCOCCNC(=O)c3ccc(cc3)OC4CCC(CC4)NC(=O)Nc5ccc(cc5)OC(F)(F)F)C(=O)N(C2=O)C6CCC(=O)NC6=O | sEH | 970.952 |
2,034 | 8S77 | X-RAY DIFFRACTION | 2024-02-29 | 2025-03-12 | null | null | null | null | 8S77 | 10 | 1.36 | experimental | 10.1021/acs.jmedchem.5c00552 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | A1H5J | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide | CCS(=O)(=O)n1ccc2c1ccc(c2)C(=O)NCc3ccc(cc3C(F)(F)F)NS(=O)(=O)C4CC4 | sEH | 529.562 |
2,036 | 8ZBL | X-RAY DIFFRACTION | 2024-04-26 | 2024-12-11 | null | null | null | null | 8ZBL | 3 | 2.7 | experimental | 10.1016/j.ejmech.2024.116937 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | A1D78 | 1-[[(2~{S},4~{a}~{S},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},10~{S},12~{a}~{S},14~{b}~{S})-10-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4~{a},6~{a},6~{b},9,9,12~{a}-heptamethyl-13-oxidanylidene-3,4,5,6,6~{a},7,8,8~{a},10,11,12,14~{b}-dodecahydro-1~{H}-picen-2-yl]methyl]-3-(o... | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)CNC(=O)NCC7CCOCC7)C)C)C)C | sEH | 759.038 |
2,042 | 9F1A | X-RAY DIFFRACTION | 2024-04-18 | 2025-04-30 | null | null | null | null | 9F1A | 2 | 2.8 | experimental | 10.1080/14756366.2025.2574990 | Escherichia coli | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | A1H8Y | 1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea | CC12CC3CC(C1)(CC(C2)c4c3cc(c(c4)OC)OC)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6 | sEH | 525.69 |
2,045 | 9JFM | X-RAY DIFFRACTION | 2024-09-04 | 2025-09-10 | null | null | null | null | 9JFM | 3 | 3.13 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | A1EBK | 1-[(13~{a}~{R})-2,3-dimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[3,2-a]isoquinolin-10-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea | COc1cc2c(cc1OC)C3Cc4ccc(cc4CN3CC2)NC(=O)NCc5ccc(cc5)OC(F)(F)F | sEH | 527.543 |
2,046 | 9KPI | X-RAY DIFFRACTION | 2024-11-22 | 2025-04-16 | null | null | null | null | 9KPI | 3 | 2.4 | experimental | 10.1021/acs.jmedchem.5c00685 | Escherichia coli BL21(DE3) | Homo sapiens | Bifunctional epoxide hydrolase 2 | 1 | A1EGG | 1-[1-[2-(3,5-dimethoxyphenyl)ethanoyl]piperidin-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea | COc1cc(cc(c1)OC)CC(=O)N2CCC(CC2)NC(=O)NCc3ccc(cc3)OC(F)(F)F | sEH | 495.498 |
2,047 | 1J7E | X-RAY DIFFRACTION | 2001-05-16 | 2002-02-06 | null | null | null | null | 1J7E | 5 | 2.55 | experimental | 10.1038/nsb754 | null | Homo sapiens | vitamin D binding protein | 1 | JY | 3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL | CC(Cc1cccc(c1)O)C2CCC3C2(CCCC3=CC=C4CC(CCC4=C)O)C | HSA | 406.61 |
2,048 | 1J7E | X-RAY DIFFRACTION | 2001-05-16 | 2002-02-06 | null | null | null | null | 1J7E | 5 | 2.55 | experimental | 10.1038/nsb754 | null | Homo sapiens | vitamin D binding protein | 1 | OLA | OLEIC ACID | CCCCCCCCC=CCCCCCCCC(=O)O | HSA | 282.468 |
2,049 | 4LA0 | X-RAY DIFFRACTION | 2013-06-18 | 2013-07-24 | null | null | null | null | 4LA0 | 2 | 2.4 | experimental | 10.1016/j.bbagen.2013.06.032 | null | Homo sapiens | SERUM ALBUMIN | 1 | 198 | R-BICALUTAMIDE | CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O | HSA | 430.379 |
2,051 | 5ID7 | X-RAY DIFFRACTION | 2016-02-24 | 2016-05-11 | null | null | null | null | 5ID7 | 12 | 2.26 | experimental | 10.1042/BSR20160089 | null | Homo sapiens | Serum albumin | 1 | 6A4 | (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate | CCCCCCCCCCCCCC(=O)OCC1COP(=S)(O1)[S-] | HSA | 395.547 |
2,052 | 5ID7 | X-RAY DIFFRACTION | 2016-02-24 | 2016-05-11 | null | null | null | null | 5ID7 | 12 | 2.26 | experimental | 10.1042/BSR20160089 | null | Homo sapiens | Serum albumin | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | HSA | 150.174 |
2,054 | 2BXA | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | null | null | null | null | 2BXA | 4 | 2.35 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | C1F | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC | CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C | HSA | 240.255 |
2,055 | 2BXH | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | null | null | null | null | 2BXH | 4 | 2.25 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | IOS | 3-SULFOOXY-1H-INDOLE | c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O | HSA | 213.214 |
2,056 | 2XW0 | X-RAY DIFFRACTION | 2010-10-28 | 2010-11-10 | null | null | null | null | 2XW0 | 4 | 2.4 | experimental | 10.1016/J.JSB.2010.10.004 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | 9NF | DANSYL-L-PHENYLALANINE | CN(C)c1cccc2c1cccc2S(=O)(=O)NC(Cc3ccccc3)C(=O)O | HSA | 398.484 |
2,057 | 1J78 | X-RAY DIFFRACTION | 2001-05-16 | 2002-02-06 | null | null | null | null | 1J78 | 4 | 2.31 | experimental | 10.1038/nsb754 | null | Homo sapiens | vitamin D binding protein | 1 | OLA | OLEIC ACID | CCCCCCCCC=CCCCCCCCC(=O)O | HSA | 282.468 |
2,058 | 1J78 | X-RAY DIFFRACTION | 2001-05-16 | 2002-02-06 | null | null | null | null | 1J78 | 4 | 2.31 | experimental | 10.1038/nsb754 | null | Homo sapiens | vitamin D binding protein | 1 | VDY | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL | CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C | HSA | 400.647 |
2,059 | 4LB2 | X-RAY DIFFRACTION | 2013-06-20 | 2013-07-24 | null | null | null | null | 4LB2 | 4 | 2.8 | experimental | 10.1016/j.bbagen.2013.06.032 | null | Homo sapiens | SERUM ALBUMIN | 1 | DM5 | IDARUBICIN | CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O | HSA | 497.5 |
2,060 | 2BXB | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | null | null | null | null | 2BXB | 2 | 3.2 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE | CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3 | HSA | 324.38 |
2,061 | 3LU6 | X-RAY DIFFRACTION | 2010-02-17 | 2010-10-27 | null | null | null | null | 3LU6 | 4 | 2.7 | experimental | 10.1016/j.bmc.2010.08.052 | null | Homo sapiens | Serum albumin | 1 | IMX | [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid | c1ccc2c(c1)CC(C2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F | HSA | 352.365 |
2,062 | 4L9K | X-RAY DIFFRACTION | 2013-06-18 | 2013-07-24 | null | null | null | null | 4L9K | 2 | 2.4 | experimental | 10.1016/j.bbagen.2013.06.032 | null | Homo sapiens | SERUM ALBUMIN | 1 | EHF | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid | CCC(C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O | HSA | 366.373 |
2,063 | 2BX8 | X-RAY DIFFRACTION | 2005-07-25 | 2005-09-22 | null | null | null | null | 2BX8 | 4 | 2.7 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | AZQ | AZAPROPAZONE | CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C | HSA | 300.362 |
2,064 | 2BXF | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | DZP | 24,547 | Kd | nM | 2BXF | 2 | 2.95 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | DZP | 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE | CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl | HSA | 284.746 |
2,065 | 2XVQ | X-RAY DIFFRACTION | 2010-10-27 | 2010-11-10 | null | null | null | null | 2XVQ | 2 | 2.9 | experimental | 10.1016/J.JSB.2010.10.004 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | 9DS | DANSYL-L-SARCOSINE | CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)O | HSA | 322.386 |
2,066 | 1E7B | X-RAY DIFFRACTION | 2000-08-26 | 2001-01-17 | HLT | 2,900,000 | IC50 | nM | 1E7B | 6 | 2.38 | experimental | 10.1074/JBC.M005460200 | Saccharomyces cerevisiae | Homo sapiens | SERUM ALBUMIN | 1 | HLT | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE | C(C(F)(F)F)(Cl)Br | HSA | 197.381 |
2,067 | 2BXE | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | 1FL | 58,800 | Ki | nM | 2BXE | 6 | 2.95 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O | HSA | 250.2 |
2,070 | 3LU7 | X-RAY DIFFRACTION | 2010-02-17 | 2010-10-27 | null | null | null | null | 3LU7 | 7 | 2.8 | experimental | 10.1016/j.bmc.2010.08.052 | null | Homo sapiens | Serum albumin | 1 | IPX | 4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid | c1ccc2c(c1)CC(C2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F | HSA | 380.419 |
2,072 | 3LU8 | X-RAY DIFFRACTION | 2010-02-17 | 2010-10-27 | null | null | null | null | 3LU8 | 2 | 2.6 | experimental | 10.1016/j.bmc.2010.08.052 | null | Homo sapiens | Serum albumin | 1 | IQX | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide | Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C | HSA | 441.535 |
2,073 | 3UIV | X-RAY DIFFRACTION | 2011-11-06 | 2012-11-07 | null | null | null | null | 3UIV | 14 | 2.2 | experimental | null | null | Homo sapiens | Serum albumin | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
2,074 | 3UIV | X-RAY DIFFRACTION | 2011-11-06 | 2012-11-07 | null | null | null | null | 3UIV | 14 | 2.2 | experimental | null | null | Homo sapiens | Serum albumin | 1 | 308 | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine | C1C2CC3CC1CC(C2)(C3)N | HSA | 151.253 |
2,075 | 2XW1 | X-RAY DIFFRACTION | 2010-10-28 | 2010-11-10 | null | null | null | null | 2XW1 | 2 | 2.5 | experimental | 10.1016/J.JSB.2010.10.004 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | 9NV | DANSYL-L-NORVALINE | CCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C | HSA | 350.44 |
2,076 | 2YDF | X-RAY DIFFRACTION | 2011-03-18 | 2011-04-27 | null | null | null | null | 2YDF | 8 | 2.75 | experimental | 10.1186/1472-6807-11-18 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | IO3 | IOPHENOXIC ACID | CCC(Cc1c(cc(c(c1I)O)I)I)C(=O)O | HSA | 571.918 |
2,078 | 1E7A | X-RAY DIFFRACTION | 2000-08-26 | 2001-01-17 | null | null | null | null | 1E7A | 4 | 2.2 | experimental | 10.1074/JBC.M005460200 | Saccharomyces cerevisiae | Homo sapiens | SERUM ALBUMIN | 1 | PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | CC(C)c1cccc(c1O)C(C)C | HSA | 178.275 |
2,079 | 2VUE | X-RAY DIFFRACTION | 2008-05-24 | 2008-06-17 | null | null | null | null | 2VUE | 2 | 2.42 | experimental | 10.1016/J.JMB.2008.06.016 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | BLA | BILIVERDINE IX ALPHA | Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O | HSA | 582.657 |
2,080 | 2XVU | X-RAY DIFFRACTION | 2010-10-28 | 2010-11-10 | null | null | null | null | 2XVU | 4 | 2.6 | experimental | 10.1016/J.JSB.2010.10.004 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | 9DN | DANSYL-L-ASPARAGINE | CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)N)C(=O)O | HSA | 365.411 |
2,081 | 5X52 | X-RAY DIFFRACTION | 2017-02-14 | 2017-05-17 | null | null | null | null | 5X52 | 7 | 3.005 | experimental | 10.1016/j.bbapap.2017.04.004 | Pichia | Homo sapiens | Serum albumin | 1 | AME | N-ACETYLMETHIONINE | CC(=O)NC(CCSC)C(=O)O | HSA | 191.252 |
2,084 | 4L9Q | X-RAY DIFFRACTION | 2013-06-18 | 2013-07-24 | null | null | null | null | 4L9Q | 2 | 2.7 | experimental | 10.1016/j.bbagen.2013.06.032 | null | Homo sapiens | SERUM ALBUMIN | 1 | 9TP | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside | COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4 | HSA | 656.662 |
2,085 | 2BXD | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | RWF | 12,000 | Kd | nM | 2BXD | 2 | 3.05 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | RWF | R-WARFARIN | CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O | HSA | 308.333 |
2,091 | 6L4K | X-RAY DIFFRACTION | 2019-10-17 | 2020-10-21 | null | null | null | null | 6L4K | 13 | 2.09 | experimental | 10.1021/acs.jmedchem.9b00939 | Pichia kudriavzevii | Homo sapiens | Serum albumin | 1 | E5O | 2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine | CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br | HSA | 393.801 |
2,092 | 6L4K | X-RAY DIFFRACTION | 2019-10-17 | 2020-10-21 | null | null | null | null | 6L4K | 13 | 2.09 | experimental | 10.1021/acs.jmedchem.9b00939 | Pichia kudriavzevii | Homo sapiens | Serum albumin | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,093 | 2BXG | X-RAY DIFFRACTION | 2005-07-26 | 2005-09-22 | IBP | 73,000 | Kd | nM | 2BXG | 4 | 2.7 | experimental | 10.1016/J.JMB.2005.07.075 | Komagataella pastoris | Homo sapiens | SERUM ALBUMIN | 1 | IBP | IBUPROFEN | CC(C)Cc1ccc(cc1)C(C)C(=O)O | HSA | 206.285 |
2,095 | 5GIX | X-RAY DIFFRACTION | 2016-06-25 | 2017-07-19 | null | null | null | null | 5GIX | 14 | 2.801 | experimental | 10.1021/acs.jmedchem.6b00509 | Pichia kudriavzevii | Homo sapiens | Serum albumin | 1 | 6WF | 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene | c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 | HSA | 368.263 |
2,096 | 5GIX | X-RAY DIFFRACTION | 2016-06-25 | 2017-07-19 | null | null | null | null | 5GIX | 14 | 2.801 | experimental | 10.1021/acs.jmedchem.6b00509 | Pichia kudriavzevii | Homo sapiens | Serum albumin | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,097 | 5Z0B | X-RAY DIFFRACTION | 2017-12-19 | 2018-12-19 | null | null | null | null | 5Z0B | 57 | 2.17 | experimental | null | null | Homo sapiens | Serum albumin | 1 | EIC | LINOLEIC ACID | CCCCCC=CCC=CCCCCCCCC(=O)O | HSA | 280.452 |
2,099 | 5Z0B | X-RAY DIFFRACTION | 2017-12-19 | 2018-12-19 | null | null | null | null | 5Z0B | 57 | 2.17 | experimental | null | null | Homo sapiens | Serum albumin | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,100 | 5Z0B | X-RAY DIFFRACTION | 2017-12-19 | 2018-12-19 | null | null | null | null | 5Z0B | 57 | 2.17 | experimental | null | null | Homo sapiens | Serum albumin | 1 | TRP | TRYPTOPHAN | c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N | HSA | 204.229 |
2,103 | 5Z0B | X-RAY DIFFRACTION | 2017-12-19 | 2018-12-19 | null | null | null | null | 5Z0B | 57 | 2.17 | experimental | null | null | Homo sapiens | Serum albumin | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | HSA | 150.174 |
2,104 | 5Z0B | X-RAY DIFFRACTION | 2017-12-19 | 2018-12-19 | null | null | null | null | 5Z0B | 57 | 2.17 | experimental | null | null | Homo sapiens | Serum albumin | 1 | PG4 | TETRAETHYLENE GLYCOL | C(COCCOCCOCCO)O | HSA | 194.227 |
2,105 | 5Z0B | X-RAY DIFFRACTION | 2017-12-19 | 2018-12-19 | null | null | null | null | 5Z0B | 57 | 2.17 | experimental | null | null | Homo sapiens | Serum albumin | 1 | 1PE | PENTAETHYLENE GLYCOL | C(COCCOCCOCCOCCO)O | HSA | 238.28 |
2,106 | 5YOQ | X-RAY DIFFRACTION | 2017-10-30 | 2018-02-07 | null | null | null | null | 5YOQ | 4 | 2.65 | experimental | 10.1016/j.bbrep.2018.01.006 | Pichia | Homo sapiens | Serum albumin | 1 | CLT | 4-PHENYL-BUTANOIC ACID | c1ccc(cc1)CCCC(=O)O | HSA | 164.204 |
2,108 | 5YB1 | X-RAY DIFFRACTION | 2017-09-02 | 2018-09-05 | null | null | null | null | 5YB1 | 16 | 2.616 | experimental | 10.1021/acs.molpharmaceut.8b00045 | Pichia kudriavzevii | Homo sapiens | Serum albumin | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,109 | 5YB1 | X-RAY DIFFRACTION | 2017-09-02 | 2018-09-05 | null | null | null | null | 5YB1 | 16 | 2.616 | experimental | 10.1021/acs.molpharmaceut.8b00045 | Pichia kudriavzevii | Homo sapiens | Serum albumin | 1 | 8ZR | ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine | CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C | HSA | 285.863 |
2,110 | 5UJB | X-RAY DIFFRACTION | 2017-01-17 | 2017-05-03 | null | null | null | null | 5UJB | 4 | 2.7 | experimental | 10.1016/j.bmc.2017.03.060 | Homo sapiens | Homo sapiens | Serum albumin | 1 | 6AK | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid | Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl | HSA | 712.678 |
2,112 | 6A7P | X-RAY DIFFRACTION | 2018-07-03 | 2018-10-24 | null | null | null | null | 6A7P | 6 | 2.28 | experimental | 10.1021/acsomega.8b02057 | Pichia | Homo sapiens | Serum albumin | 1 | 9SC | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 | HSA | 448.394 |
2,115 | 6A7P | X-RAY DIFFRACTION | 2018-07-03 | 2018-10-24 | null | null | null | null | 6A7P | 6 | 2.28 | experimental | 10.1021/acsomega.8b02057 | Pichia | Homo sapiens | Serum albumin | 1 | PG4 | TETRAETHYLENE GLYCOL | C(COCCOCCOCCO)O | HSA | 194.227 |
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