RosettaCommons/BELKA-DEL-Experimental-BenchmarkData

1,180

7USI

X-RAY DIFFRACTION

2022-04-25

2023-01-18

null

7USI

57

2.5

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

1,186

7USI

X-RAY DIFFRACTION

2022-04-25

2023-01-18

null

7USI

57

2.5

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

PGE

TRIETHYLENE GLYCOL

C(COCCOCCO)O

BRD4

150.174

1,187

8Z69

X-RAY DIFFRACTION

2024-04-18

2024-12-11

null

8Z69

28

1.77

experimental

10.1021/acs.jmedchem.4c02516

Escherichia coli

Homo sapiens

BRD2_HUMAN, O27.1.1, Really interesting new gene 3 protein

1

A1L0Y

7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one

Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)c6ccccc6)C)C(C)(C)O)C)F

BRD4

563.629

1,207

4UIT

X-RAY DIFFRACTION

2015-04-03

2015-04-22

null

4UIT

1

1.3

experimental

10.1021/ACS.JMEDCHEM.5B00256

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 9, RHABDOMYOSARCOMA ANTIGEN MU-RMS-40.8, 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

1,208

5O7I

X-RAY DIFFRACTION

2017-06-08

2018-06-20

9N8

3,000

IC50

nM

5O7I

2

2.38

experimental

10.1016/j.ejmech.2019.05.057

Spodoptera frugiperda

Homo sapiens

Mitogen-activated protein kinase 7, MAPK 7, Big MAP kinase 1, BMK-1, Extracellular signal-regulated kinase 5, ERK-5

1

9N8

4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide

c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F

BRD4

388.196

1,210

9M3N

X-RAY DIFFRACTION

2025-03-03

2025-07-16

null

9M3N

1

2.08

experimental

10.1021/acs.jcim.5c00473

Homo sapiens

E3 ubiquitin-protein ligase TRIM21, 52 kDa Ro protein, 52 kDa ribonucleoprotein autoantigen Ro/SS-A, RING finger protein 81, Ro(SS-A), Sjoegren syndrome type A antigen, SS-A, Tripartite motif-containing protein 21

1

A1EMT

1-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide

CCn1c(c(cn1)C(=O)N(C)C2CC(C2)c3cccc(c3)C(F)(F)F)c4ccccc4

BRD4

427.47

1,218

4A9L

X-RAY DIFFRACTION

2011-11-26

2012-01-11

P9L

30,000

IC50

nM

4A9L

6

1.6

experimental

10.1021/JM201320W

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4

1

P9L

1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one

CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3

BRD4

325.39

1,220

4BJX

X-RAY DIFFRACTION

2013-04-20

2013-10-02

73B

6.3

IC50

nM

4BJX

1

1.59

experimental

10.1371/JOURNAL.PONE.0072967

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4

1

73B

4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid

CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl

BRD4

434.923

1,229

4BW1

X-RAY DIFFRACTION

2013-06-29

2013-09-11

S5B

1,258.930054

IC50

nM

4BW1

4

1.4

experimental

10.1002/CMDC.201300259

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1

1

S5B

4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid

Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O

BRD4

415.493

1,231

4BW2

X-RAY DIFFRACTION

2013-06-29

2013-09-11

null

4BW2

2

1.92

experimental

10.1002/CMDC.201300259

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1

1

UTH

4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid

Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C

BRD4

416.481

1,234

4BW3

X-RAY DIFFRACTION

2013-06-29

2013-09-11

null

4BW3

4

1.5

experimental

10.1002/CMDC.201300259

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1

1

9BM

4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid

Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC

BRD4

446.507

1,235

4BW4

X-RAY DIFFRACTION

2013-06-29

2013-09-11

null

4BW4

1

1.67

experimental

10.1002/CMDC.201300259

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1

1

9B6

7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one

Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC

BRD4

471.395

1,237

4C67

X-RAY DIFFRACTION

2013-09-17

2013-10-02

null

4C67

3

1.55

experimental

10.1021/JM401088K

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4

1

L5S

13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene

Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4

BRD4

280.356

1,240

4CLB

X-RAY DIFFRACTION

2014-01-13

2014-12-24

83T

280

IC50

nM

4CLB

2

1.6

experimental

10.1039/C3MD00285C

Escherichia coli

Homo sapiens

BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4

1

83T

propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C

BRD4

409.53

1,244

4GPJ

X-RAY DIFFRACTION

2012-08-21

2012-10-17

0Q1

1,259

IC50

nM

4GPJ

4

1.6

experimental

10.1039/C2MD20189E

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

0Q1

(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol

Cc1c(c(on1)C)c2ccc3c(c2)C(CC3)(c4ccccc4)O

BRD4

305.377

1,246

4HBV

X-RAY DIFFRACTION

2012-09-28

2012-10-31

15E

23,000

IC50

nM

4HBV

3

1.63

experimental

10.1021/jm3010515

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

15E

6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one

CN1Cc2cc(ccc2NC1=O)Br

BRD4

241.088

1,247

4HBX

X-RAY DIFFRACTION

2012-09-28

2012-10-31

14X

4,800

IC50

nM

4HBX

1

1.62

experimental

10.1021/jm3010515

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

14X

3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one

CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3

BRD4

295.364

1,248

4HBY

X-RAY DIFFRACTION

2012-09-28

2012-10-31

13F

4,400

IC50

nM

4HBY

2

1.59

experimental

10.1021/jm3010515

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

13F

3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3

BRD4

317.37

1,298

4NUD

X-RAY DIFFRACTION

2013-12-03

2014-04-02

NUD

4,900

IC50

nM

4NUD

2

1.2

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

NUD

4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide

Cc1cc(c(cc1O)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3

BRD4

383.433

1,303

4NUE

X-RAY DIFFRACTION

2013-12-03

2014-04-02

NUE

440

Ki

nM

4NUE

2

1.3

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

NUE

4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide

Cc1cc(c(c(c1O)C)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3

BRD4

397.46

1,308

4QB3

X-RAY DIFFRACTION

2014-05-06

2015-04-22

30M

0.3

Kd

nM

4QB3

2

0.94

experimental

10.1016/j.chembiol.2014.05.009

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

30M

N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide

CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O

BRD4

299.374

1,311

4WHW

X-RAY DIFFRACTION

2014-09-23

2015-10-28

3OT

350

IC50

nM

4WHW

2

1.345

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

3OT

2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one

COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5

BRD4

469.585

1,313

4Z1Q

X-RAY DIFFRACTION

2015-03-27

2015-04-08

558

26

IC50

nM

4Z1Q

2

1.399

experimental

10.1021/ml500411h

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

558

5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine

Cc1nnc2n1-c3ccc(cc3N(CC2C)c4ccc(cc4)Cl)c5ccc(nc5)N

BRD4

416.916

1,316

4Z1S

X-RAY DIFFRACTION

2015-03-27

2015-04-08

null

4Z1S

2

1.06

experimental

10.1021/ml500411h

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

559

5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine

Cc1nnc2n1-c3ccc(cc3N(CC2C)c4ccc(cc4)Cl)c5ccc(nc5)N

BRD4

416.916

1,317

4Z93

X-RAY DIFFRACTION

2015-04-09

2015-07-01

null

4Z93

2

1.27

experimental

10.1021/acs.jmedchem.5b00613

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

4LD

1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole

Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC

BRD4

413.481

1,321

5EIS

X-RAY DIFFRACTION

2015-10-30

2016-01-20

5OU

1,900

IC50

nM

5EIS

3

1.6

experimental

10.1021/acs.jmedchem.5b01708

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

5OU

3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione

CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl

BRD4

304.737

1,326

5HLS

X-RAY DIFFRACTION

2016-01-15

2016-02-10

62G

39

IC50

nM

5HLS

1

2.182

experimental

10.1021/acs.jmedchem.5b01882

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

62G

CPI-0610

Cc1c-2c(on1)C(N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N

BRD4

365.82

1,328

5HM0

X-RAY DIFFRACTION

2016-01-15

2016-02-10

62V

440

IC50

nM

5HM0

1

1.395

experimental

10.1021/acs.jmedchem.5b01882

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

62V

6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine

Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl

BRD4

308.768

1,334

5LUU

X-RAY DIFFRACTION

2016-09-11

2016-10-12

77X

8,630

Kd

nM

5LUU

3

1.61

experimental

10.1021/acsmedchemlett.6b00154

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

77X

1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1

BRD4

255.321

1,339

5M3A

X-RAY DIFFRACTION

2016-10-14

2017-09-27

7.00E+07

2,000

IC50

nM

5M3A

3

1.65

experimental

10.1021/acs.jmedchem.7b00845

null

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

7.00E+07

3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C

BRD4

306.329

1,340

5ULA

X-RAY DIFFRACTION

2017-01-24

2017-03-22

5MJ

77

Ki

nM

5ULA

2

1.5

experimental

10.1073/pnas.1615601114

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

5MJ

3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide

CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC

BRD4

370.836

1,342

5UOO

X-RAY DIFFRACTION

2017-02-01

2017-05-17

8FV

28

IC50

nM

5UOO

1

1.69

experimental

10.1021/acs.jmedchem.7b00193

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

8FV

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole

Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6

BRD4

435.487

1,349

5YOV

X-RAY DIFFRACTION

2017-10-31

2018-11-07

8XR

21

IC50

nM

5YOV

1

1.451

experimental

10.1016/j.ejmech.2018.02.070

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

8XR

(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide

Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CCCC4

BRD4

391.515

1,350

6C7Q

X-RAY DIFFRACTION

2018-01-23

2018-08-01

EO1

0.7

Ki

nM

6C7Q

1

1.51

experimental

10.1021/acs.jmedchem.8b00483

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

EO1

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine

Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C

BRD4

453.506

1,352

6C7R

X-RAY DIFFRACTION

2018-01-23

2018-08-01

null

6C7R

1

1.5

experimental

10.1021/acs.jmedchem.8b00483

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

EO4

N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine

Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C

BRD4

443.511

1,356

6DML

X-RAY DIFFRACTION

2018-06-05

2018-12-19

null

6DML

4

1.5

experimental

10.1021/acs.jmedchem.8b01292

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

9BM

4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid

Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC

BRD4

446.507

1,358

6HOV

X-RAY DIFFRACTION

2018-09-18

2019-10-09

null

6HOV

3

1.85

experimental

10.1111/febs.15111

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

FER

3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID

COc1cc(ccc1O)C=CC(=O)O

BRD4

194.186

1,360

6IN1

X-RAY DIFFRACTION

2018-10-24

2019-10-30

null

6IN1

3

1.5

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

O4B

1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE

C1COCCOCCOCCOCCOCCO1

BRD4

264.318

1,361

6IN1

X-RAY DIFFRACTION

2018-10-24

2019-10-30

null

6IN1

3

1.5

experimental

null

Escherichia coli

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

1,362

6WW8

X-RAY DIFFRACTION

2020-05-08

2020-08-26

YR0

89

IC50

nM

6WW8

1

2.302

experimental

10.1038/s41421-020-0181-z

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

YR0

7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7

BRD4

584.702

1,364

6XUZ

X-RAY DIFFRACTION

2020-01-21

2020-07-08

O1W

51

IC50

nM

6XUZ

1

1.07

experimental

10.1002/anie.202003732

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

O1W

6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C)COC)N5CCOCC5C

BRD4

479.589

1,366

6XV7

X-RAY DIFFRACTION

2020-01-21

2020-07-08

null

6XV7

4

1.668

experimental

10.1002/anie.202003732

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

O2Q

~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F

BRD4

289.289

1,368

6XVC

X-RAY DIFFRACTION

2020-01-21

2020-07-08

null

6XVC

3

1.098

experimental

10.1002/anie.202003732

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

O32

(4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)OC(C)C5CC(=O)NC5

BRD4

387.443

1,369

7EIK

X-RAY DIFFRACTION

2021-03-31

2022-04-06

null

7EIK

1

1.7

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

J4R

1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone

Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C

BRD4

417.517

1,370

7K6G

X-RAY DIFFRACTION

2020-09-20

2021-09-29

VYJ

205

Kd

nM

7K6G

7

1.7

experimental

10.1021/acs.jmedchem.1c01096

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

VYJ

11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C

BRD4

638.817

1,373

7K6H

X-RAY DIFFRACTION

2020-09-20

2021-09-22

4WG

205

Kd

nM

7K6H

1

1.5

experimental

10.1021/acs.jmedchem.1c01096

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

4WG

2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BRD4

474.565

1,377

7KO0

X-RAY DIFFRACTION

2020-11-06

2021-10-20

null

7KO0

2

1.9

experimental

10.1021/acs.jmedchem.1c01096

Escherichia coli

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

1,382

7LH8

X-RAY DIFFRACTION

2021-01-21

2022-07-06

null

7LH8

8

1.75

experimental

10.1002/cmdc.202100407

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

XZG

(5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

CCN1C2=C(C(C3=C(N2)CN(C3=O)CC4CCN(CC4)Cc5ccc(cc5)[N+](=O)[O-])c6ccc(cc6)C)C(=O)NC1=O

BRD4

570.65

1,385

7M16

X-RAY DIFFRACTION

2021-03-12

2021-09-29

YNS

2,100

Kd

nM

7M16

1

1.42

experimental

10.1021/acsmedchemlett.9b00227

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

YNS

4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide

Cc1cc(cc(c1)Nc2cccc(n2)c3c(nnn3C4CCN(CC4)C(=N)N)C)C

BRD4

404.522

1,389

7UGF

X-RAY DIFFRACTION

2022-03-24

2023-04-12

null

7UGF

6

1.45

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

N6I

(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one

Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5

BRD4

479.968

1,390

7UTY

X-RAY DIFFRACTION

2022-04-28

2022-08-24

null

7UTY

3

1.55

experimental

10.1002/ardp.202200288

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

OFR

prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate

CCN1C2=C(C(C(=C(N2)C)C(=O)OCC=C)c3ccc(cc3)C)C(=O)NC1=O

BRD4

381.432

1,392

7W3D

X-RAY DIFFRACTION

2021-11-25

2022-09-07

null

7W3D

1

1.98

experimental

10.1016/j.bmc.2022.116967

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

89T

N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine

CC(COC)Nc1ccc(c(n1)Nc2ccc3c(c2)[nH]nn3)NS(=O)(=O)N(C)C

BRD4

420.499

1,393

8CKF

X-RAY DIFFRACTION

2023-02-15

2023-08-02

null

8CKF

2

1.88

experimental

10.1021/acschembio.3c00437

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

E5Q

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol

Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O

BRD4

296.326

1,394

8CKF

X-RAY DIFFRACTION

2023-02-15

2023-08-02

null

8CKF

2

1.88

experimental

10.1021/acschembio.3c00437

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

V0R

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol

Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O

BRD4

296.326

1,395

8FVK

X-RAY DIFFRACTION

2023-01-19

2024-02-07

JHL

360

Kd

nM

8FVK

6

1.53

experimental

10.1038/s41467-024-47102-0

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

JHL

(6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one

Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6ccc(c(c6)F)F

BRD4

534.607

1,397

8IBQ

X-RAY DIFFRACTION

2023-02-10

2023-10-04

null

8IBQ

1

1.45

experimental

10.1021/acs.jmedchem.3c00372

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

OWO

7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4

BRD4

321.359

1,398

8IDH

X-RAY DIFFRACTION

2023-02-13

2023-10-04

null

8IDH

1

1.57

experimental

10.1021/acs.jmedchem.3c00372

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

OWO

7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4

BRD4

321.359

1,399

8P9F

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9F

6

1.3

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

X9O

~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide

Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N

BRD4

363.421

1,402

8P9G

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9G

4

1.1

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

X9K

~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide

Cc1cc(c2cc[nH]c2c1O)N=Nc3ccc(cc3)C(=O)Nc4ccccc4N

BRD4

385.427

1,403

8P9H

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9H

6

1.19

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

X9C

~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide

CN1C=C(c2cc[nH]c2C1=O)c3ccc4cc(ccc4n3)C(=O)Nc5ccccc5N

BRD4

409.449

1,405

8P9I

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9I

14

1.23

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

X8T

~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide

CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4ccccc4N

BRD4

358.401

1,408

8P9J

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9J

8

1.42

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

X8O

~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide

CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4ccccc4N

BRD4

359.389

1,409

8P9K

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9K

7

1.25

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

X9U

~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide

CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4cc(ccc4N)c5ccccc5

BRD4

434.499

1,411

8P9L

X-RAY DIFFRACTION

2023-06-06

2023-07-05

null

8P9L

5

1.29

experimental

10.1021/acschembio.3c00427

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

XA3

~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide

CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4cc(ccc4N)c5ccccc5

BRD4

435.487

1,413

8QAL

X-RAY DIFFRACTION

2023-08-23

2024-09-11

null

8QAL

4

1.3

experimental

10.1002/pro.5191

Escherichia coli 'BL21-Gold(DE3)pLysS AG

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

GQX

2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine

Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O

BRD4

289.364

1,415

8QAN

X-RAY DIFFRACTION

2023-08-23

2024-09-11

null

8QAN

2

1.25

experimental

10.1002/pro.5191

Escherichia coli 'BL21-Gold(DE3)pLysS AG

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

GKI

1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone

Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C

BRD4

360.527

1,418

8QAP

X-RAY DIFFRACTION

2023-08-23

2024-09-11

null

8QAP

3

1.4

experimental

10.1002/pro.5191

Escherichia coli 'BL21-Gold(DE3)pLysS AG

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

Q9U

2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine

Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CC(CC2=O)(C)C

BRD4

317.418

1,420

8QAR

X-RAY DIFFRACTION

2023-08-23

2024-09-11

null

8QAR

3

1.5

experimental

10.1002/pro.5191

Escherichia coli 'BL21-Gold(DE3)pLysS AG

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

GI0

3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one

Cc1c[nH]nc1CN2CCN(CC2)c3nc(cs3)c4c5c(c([nH]4)C)C(=O)CCC5

BRD4

410.547

1,421

8V92

X-RAY DIFFRACTION

2023-12-07

2025-03-19

null

8V92

9

1.27

experimental

10.1016/j.ejmech.2025.117504

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1AAL

(4bS)-1-ethyl-21-methyl-4b,11,12,22-tetrahydro-2H,10H,18H-dibenzo[13',14':6',7'][1,5,9]trioxacyclotetradecino[12',11':4,5]pyrido[2,3-d]pyrimidine-2,4,20(1H,3H)-trione

CCN1C2=C(C3c4ccccc4OCCCOc5ccccc5COC(=O)C3=C(N2)C)C(=O)NC1=O

BRD4

489.528

1,423

8V9F

X-RAY DIFFRACTION

2023-12-08

2024-12-18

null

8V9F

2

1.22

experimental

10.1016/j.ejmech.2025.117504

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

YPB

(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione

CCN1C2=C(C3c4ccc(cc4OCCOc5ccccc5COC(=O)C3=C(N2)C)C)C(=O)NC1=O

BRD4

489.528

1,425

8WIU

X-RAY DIFFRACTION

2023-09-25

2024-01-03

null

8WIU

1

1.4

experimental

10.1016/j.ejmech.2023.116080

Escherichia coli

Homo sapiens

Isoform C of Bromodomain-containing protein 4, Protein HUNK1

1

WPR

7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine

Cc1c(c(n(n1)CC2CC2)C)c3cc(cnc3)c4ccnc5c4[nH]cn5

BRD4

344.422

1,426

8WQO

X-RAY DIFFRACTION

2023-10-12

2024-07-24

null

8WQO

1

1.13

experimental

10.1021/acs.jmedchem.4c01933

Escherichia coli

Homo sapiens

Isoform C of Bromodomain-containing protein 4, Protein HUNK1

1

X3L

(3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one

Cc1c(c(n[nH]1)C)c2ccnc(n2)Nc3ccc4c(c3)N(C(C(=O)N4C)C)C(C)C

BRD4

405.506

1,427

9FBY

X-RAY DIFFRACTION

2024-05-14

2024-06-26

null

9FBY

2

1.853

experimental

10.1021/acs.jmedchem.4c00959

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1IB5

5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one

CC1=CC(=CN(C1=O)C)c2nc(cn2CC3CCOCC3)Cl

BRD4

321.808

1,429

9FWX

X-RAY DIFFRACTION

2024-07-01

2024-08-07

null

9FWX

1

1.25

experimental

10.1021/acs.jmedchem.4c01128

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1IGX

3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Cc1nnc2n1nc(cc2)NCCc3ccccc3

BRD4

253.309

1,430

9FXP

X-RAY DIFFRACTION

2024-07-02

2024-08-07

null

9FXP

1

1.88

experimental

10.1021/acs.jmedchem.4c01128

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

5WX

4-methoxy-1,2-benzoxazol-3-amine

COc1cccc2c1c(no2)N

BRD4

164.164

1,431

9HT0

X-RAY DIFFRACTION

2024-12-19

2025-08-13

null

9HT0

1

1.33

experimental

10.1038/s42004-025-01610-2

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1IXD

~{N}-methyl-4-[5-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazol-1-yl]benzamide

CNC(=O)c1ccc(cc1)n2c(nc(n2)Cn3cccn3)C4=CN(C(=O)c5c4cccc5)C

BRD4

439.479

1,432

9HT1

X-RAY DIFFRACTION

2024-12-19

2025-08-13

null

9HT1

2

1.94

experimental

10.1038/s42004-025-01610-2

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

P6G

HEXAETHYLENE GLYCOL

C(COCCOCCOCCOCCOCCO)O

BRD4

282.333

1,433

9HT1

X-RAY DIFFRACTION

2024-12-19

2025-08-13

null

9HT1

2

1.94

experimental

10.1038/s42004-025-01610-2

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1IXE

1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Cc1ccc(cc1)n2c(nnc2SCC(=O)N3CCOCCC34COC4)C

BRD4

388.493

1,434

9HT2

X-RAY DIFFRACTION

2024-12-19

2025-08-13

null

9HT2

2

1.42

experimental

10.1038/s42004-025-01610-2

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1IXF

methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate

Cc1nnc(s1)NC(=O)CNC2(CC(OC(C2)(C)C)(C)C)C(=O)OC

BRD4

370.475

1,435

9HT2

X-RAY DIFFRACTION

2024-12-19

2025-08-13

null

9HT2

2

1.42

experimental

10.1038/s42004-025-01610-2

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

P4G

1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

CCOCCOCCOCC

BRD4

162.229

1,437

9IV5

X-RAY DIFFRACTION

2024-07-23

2025-10-01

null

9IV5

3

1.59

experimental

10.1021/acs.jmedchem.4c03069

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

A1D95

7-[2-fluoranyl-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

Cc1c(c(n(n1)C)C)c2cc(cc(c2F)c3ccnc4c3[nH]cn4)OCC5COC5

BRD4

407.449

1,446

8G46

ELECTRON MICROSCOPY

2023-02-08

2023-03-08

null

8G46

2

2.2

experimental

10.1101/2023.02.14.528208

Trichoplusia ni

Homo sapiens

DNA damage-binding protein 1, DDB p127 subunit, DNA damage-binding protein a, DDBa, Damage-specific DNA-binding protein 1, HBV X-associated protein 1, XAP-1, UV-damaged DNA-binding factor, UV-damaged DNA-binding protein 1, UV-DDB 1, XPE-binding factor, XPE-BF, Xeroderma pigmentosum group E-complementing protein, XPCe

1

YK3

tert-butyl [(6S,10P)-4-{4-[(ethanesulfonyl)amino]phenyl}-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate

CCS(=O)(=O)Nc1ccc(cc1)C2=NC(c3nnc(n3-c4c2c(c(s4)C)C)C)CC(=O)OC(C)(C)C

BRD4

529.688

1,450

8YHS

X-RAY DIFFRACTION

2024-02-28

2024-03-13

null

8YHS

2

1.5

experimental

null

Escherichia coli

Homo sapiens

Bromodomain testis-specific protein, Cancer/testis antigen 9, RING3-like protein

1

A1D6J

2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one

CC1=CC(=NN(C1=O)C)c2nc3cnc(cc3n2C(C)c4ccccc4)C5CCOCC5

BRD4

429.524

1,474

4.00E+96

X-RAY DIFFRACTION

2012-03-20

2012-04-18

0NS

220

IC50

nM

4.00E+96

4

1.92

experimental

10.1021/jm3010515

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

0NS

2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide

CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC

BRD4

347.396

1,483

4HBW

X-RAY DIFFRACTION

2012-09-28

2012-10-31

null

4HBW

3

1.69

experimental

10.1021/jm3010515

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

14Z

N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C

BRD4

269.326

1,495

5UVW

X-RAY DIFFRACTION

2017-02-20

2017-06-21

null

5UVW

5

2.14

experimental

null

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

8NG

N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide

CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F

BRD4

459.474

1,497

5WA5

X-RAY DIFFRACTION

2017-06-24

2018-07-04

null

5WA5

3

1.172

experimental

10.1021/acschembio.7b00638

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

4K4

2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C

BRD4

570.698

1,499

6XV3

X-RAY DIFFRACTION

2020-01-21

2020-07-08

O2B

38

IC50

nM

6XV3

4

1.47

experimental

10.1002/anie.202003732

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

O2B

3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C)c5ccccc5)N6CCOCC6C

BRD4

511.634

1,501

6ZCI

X-RAY DIFFRACTION

2020-06-11

2020-12-23

QFN

17

IC50

nM

6ZCI

1

1.976

experimental

10.1038/s41589-020-00716-z

Escherichia coli BL21(DE3)

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

QFN

(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one

Cc1c2c(n(n1)C3CC3)C(=O)N(C2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C

BRD4

408.889

1,502

7WX2

X-RAY DIFFRACTION

2022-02-14

2022-06-08

7OW

19

Kd

nM

7WX2

1

1.24

experimental

10.1038/s41388-022-02327-5

Escherichia coli BL21(DE3)

Homo sapiens

CREB-binding protein, Histone lysine acetyltransferase CREBBP, Protein-lysine acetyltransferase CREBBP

1

7OW

1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one

CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F

BRD4

435.446

1,504

8Q34

X-RAY DIFFRACTION

2023-08-03

2024-02-07

null

8Q34

8

1.48

experimental

10.1038/s42004-024-01252-w

Escherichia coli 'BL21-Gold(DE3)pLysS AG

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

1

IX4

~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide

CC1(N=N1)CCC(=O)NCc2[nH]c3cccnc3n2

BRD4

258.285

1,506

8X7G

X-RAY DIFFRACTION

2023-11-24

2025-03-26

null

8X7G

1

2.7

experimental

10.1038/s41594-025-01537-1

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

2

YAX

2-[(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),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide

Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOc4ccc5c(c4)[nH]c(n5)C6CCC(CC6)NC(=O)CNCc7cc8ccccc8[nH]7)c9ccc(cc9)Cl)C

BRD4

887.511

1,514

7RWP

X-RAY DIFFRACTION

2021-08-20

2022-08-24

7WZ

290

IC50

nM

7RWP

2

1.73

experimental

10.1021/acs.jmedchem.1c01294

Escherichia coli BL21(DE3)

Homo sapiens

Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen

1

7WZ

5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one

CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN)Cl

BRD4

264.716

1,518

5I1Q

X-RAY DIFFRACTION

2016-01-09

2016-06-08

67C

46

IC50

nM

5I1Q

1

1.5

experimental

10.1021/acs.jmedchem.6b00264

Escherichia coli BL21(DE3)

Homo sapiens

Transcription initiation factor TFIID subunit 1, Cell cycle gene 1 protein, TBP-associated factor 250 kDa, p250, Transcription initiation factor TFIID 250 kDa subunit, TAFII250

1

67C

3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide

CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C

BRD4

335.407

1,520

5I29

X-RAY DIFFRACTION

2016-02-08

2016-06-08

67B

3,600

IC50

nM

5I29

2

1.21

experimental

10.1021/acs.jmedchem.6b00264

Escherichia coli BL21(DE3)

Homo sapiens

Transcription initiation factor TFIID subunit 1, Cell cycle gene 1 protein, TBP-associated factor 250 kDa, p250, Transcription initiation factor TFIID 250 kDa subunit, TAFII250

1

67B

N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C

BRD4

295.342

1,526

8X7H

X-RAY DIFFRACTION

2023-11-24

2025-03-26

null

8X7H

12

2.9

experimental

10.1038/s41594-025-01537-1

Escherichia coli

Homo sapiens

Bromodomain-containing protein 4, Protein HUNK1

2

YBI

~{N}-[4-[6-[3-[4-[2-[(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),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide

Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)N4CCN(CC4)CCCOc5ccc6c(c5)[nH]c(n6)C7CCC(CC7)NC(=O)CNCc8cc9ccccc9[nH]8)c1ccc(cc1)Cl)C

BRD4

926.592

1,537

6FFE

X-RAY DIFFRACTION

2018-01-07

2019-01-30

null

6FFE

5

1.76

experimental

10.1021/acs.jmedchem.7b01666

Escherichia coli

Homo sapiens

Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein

1

D7Q

2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid

CC(=O)N1c2ccccc2N(CC1C3CC3)Cc4ccccc4C(=O)O

BRD4

350.418

1,538

7RWN

X-RAY DIFFRACTION

2021-08-20

2022-08-24

7WE

310

IC50

nM

7RWN

2

1.39

experimental

10.1021/acs.jmedchem.1c01294

Escherichia coli BL21(DE3)

Homo sapiens

Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen

1

7WE

4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one

CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN(C)C)Cl

BRD4

292.77

1,540

7RWO

X-RAY DIFFRACTION

2021-08-20

2022-08-24

7WN

370

IC50

nM

7RWO

3

1.58

experimental

10.1021/acs.jmedchem.1c01294

Escherichia coli BL21(DE3)

Homo sapiens

Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen

1

7WN

4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one

CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CNCC3)Cl

BRD4

290.754

1,542

7RWQ

X-RAY DIFFRACTION

2021-08-20

2022-08-24

7XE

250

IC50

nM

7RWQ

2

1.9

experimental

10.1021/acs.jmedchem.1c01294

Escherichia coli BL21(DE3)

Homo sapiens

Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen

1

7XE

4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one

CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CCNC3)Cl

BRD4

290.754