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 | 7REL | X-RAY DIFFRACTION | 2021-07-13 | 2021-07-21 | null | null | null | null | 7REL | 2 | 1.55 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 4OW | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C | BRD4 | 561.127 |
2 | 7REM | X-RAY DIFFRACTION | 2021-07-13 | 2021-07-21 | null | null | null | null | 7REM | 1 | 1.8 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 4OF | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F | BRD4 | 615.097 |
4 | 8EAD | X-RAY DIFFRACTION | 2022-08-29 | 2022-09-07 | null | null | null | null | 8EAD | 3 | 1.65 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | UY0 | N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide | Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)OCCN4CCCC4 | BRD4 | 559.136 |
5 | 7REK | X-RAY DIFFRACTION | 2021-07-13 | 2021-07-21 | null | null | null | null | 7REK | 8 | 1.2 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | R6S | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine | Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C | BRD4 | 552.72 |
7 | 4YH3 | X-RAY DIFFRACTION | 2015-02-26 | 2016-01-13 | Y80 | 26,000 | IC50 | nM | 4YH3 | 1 | 1.6 | experimental | 10.1016/j.bmcl.2015.04.107 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1, BRD4 | 1 | Y80 | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one | COc1ccc(cc1)C=C(c2ccccc2)C(=O)N3CC(=O)Nc4c3cccc4 | BRD4 | 384.435 |
8 | 5LRQ | X-RAY DIFFRACTION | 2016-08-19 | 2017-08-30 | null | null | null | null | 5LRQ | 1 | 1.7 | experimental | 10.1016/j.ejmech.2019.05.057 | Escherichia coli BL21(DE3) | 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 |
9 | 5UY9 | X-RAY DIFFRACTION | 2017-02-23 | 2017-04-26 | null | null | null | null | 5UY9 | 3 | 1.85 | experimental | 10.1038/onc.2017.137 | Escherichia coli | Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Peptidyl-prolyl cis-trans isomerase Pin1, PPIase Pin1, Rotamase Pin1 | 1 | PE4 | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL | CCOCCOCCOCCOCCOCCOCCOCCO | BRD4 | 354.44 |
11 | 4YH4 | X-RAY DIFFRACTION | 2015-02-26 | 2016-01-13 | Y81 | 26,000 | IC50 | nM | 4YH4 | 3 | 1.33 | experimental | 10.1016/j.bmcl.2015.04.107 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1, BRD4 | 1 | Y81 | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one | c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4 | BRD4 | 329.359 |
14 | 4DON | X-RAY DIFFRACTION | 2012-02-09 | 2013-02-13 | null | null | null | null | 4DON | 1 | 1.52 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 3PF | 3-methyl-3,4-dihydroquinazolin-2(1H)-one | CN1Cc2ccccc2NC1=O | BRD4 | 162.192 |
15 | 4HXK | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXK | 1 | 1.61 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1AJ | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone | c1csc2c1CN(CC2)C(=O)n3ccnc3 | BRD4 | 233.296 |
16 | 4HXL | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXL | 1 | 1.52 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A9 | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide | c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4 | BRD4 | 491.66 |
17 | 4HXM | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXM | 1 | 1.5 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A8 | N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 | BRD4 | 423.541 |
18 | 4HXN | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXN | 1 | 1.49 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A7 | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one | c1ccc(c(c1)C2=CSC(=O)N2)F | BRD4 | 195.218 |
19 | 4HXO | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXO | 1 | 1.76 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A6 | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine | Cc1cc(on1)CSc2nnc3n2cccc3 | BRD4 | 246.295 |
20 | 4HXP | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXP | 1 | 1.73 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A5 | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide | c1cc(ccc1C(=O)N)N2CCOC2=O | BRD4 | 206.201 |
21 | 4HXR | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXR | 1 | 1.53 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A4 | N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3 | BRD4 | 338.435 |
22 | 4HXS | X-RAY DIFFRACTION | 2012-11-12 | 2013-04-03 | null | null | null | null | 4HXS | 1 | 1.43 | experimental | 10.1021/jm301793a | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1A3 | N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide | c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3 | BRD4 | 346.433 |
24 | 4MEN | X-RAY DIFFRACTION | 2013-08-27 | 2013-09-25 | null | null | null | null | 4MEN | 2 | 1.81 | experimental | 10.1021/jm4011302 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 25K | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C | BRD4 | 267.336 |
25 | 4MEP | X-RAY DIFFRACTION | 2013-08-27 | 2013-09-25 | null | null | null | null | 4MEP | 1 | 1.85 | experimental | 10.1021/jm4011302 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 24Y | 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one | Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl | BRD4 | 363.808 |
27 | 4MEQ | X-RAY DIFFRACTION | 2013-08-27 | 2013-09-25 | null | null | null | null | 4MEQ | 2 | 1.77 | experimental | 10.1021/jm4011302 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 25O | 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | Cc1cc(n2c(n1)nc(n2)N)c3ccccc3 | BRD4 | 225.255 |
28 | 4O77 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | 2RE | 3,400 | IC50 | nM | 4O77 | 2 | 2 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RE | 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol | c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O | BRD4 | 331.35 |
31 | 4O7A | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O7A | 5 | 1.34 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RF | 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione | c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O | BRD4 | 349.173 |
33 | 4O7B | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O7B | 4 | 1.5 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RJ | 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine | Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F | BRD4 | 443.526 |
35 | 4O7C | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O7C | 2 | 1.55 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RK | 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine | C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2 | BRD4 | 373.46 |
37 | 4QR3 | X-RAY DIFFRACTION | 2014-06-30 | 2015-07-01 | null | null | null | null | 4QR3 | 1 | 1.374 | experimental | 10.1021/jm501504k | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | BNJ | N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3 | BRD4 | 324.427 |
38 | 4QR4 | X-RAY DIFFRACTION | 2014-06-30 | 2015-07-01 | null | null | null | null | 4QR4 | 1 | 1.28 | experimental | 10.1021/jm501504k | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | BNK | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl | BRD4 | 358.872 |
39 | 4QR5 | X-RAY DIFFRACTION | 2014-06-30 | 2015-07-01 | null | null | null | null | 4QR5 | 1 | 1.41 | experimental | 10.1021/jm501504k | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | BNM | N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4 | BRD4 | 407.517 |
40 | 5H21 | X-RAY DIFFRACTION | 2016-10-13 | 2017-07-05 | null | null | null | null | 5H21 | 1 | 1.591 | experimental | 10.1039/c7md00083a | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | RMR | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide | COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2 | BRD4 | 321.398 |
41 | 5HQ5 | X-RAY DIFFRACTION | 2016-01-21 | 2017-01-25 | null | null | null | null | 5HQ5 | 1 | 1.6 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 64Q | 7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine | Cc1ccccc1Nc2cc(nc3n2cnn3)C | BRD4 | 239.282 |
42 | 5HQ6 | X-RAY DIFFRACTION | 2016-01-21 | 2017-01-25 | null | null | null | null | 5HQ6 | 1 | 1.95 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 64R | (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one | Cc1ccc2c(c1)NC(=O)C(O2)C | BRD4 | 177.203 |
43 | 5HQ7 | X-RAY DIFFRACTION | 2016-01-21 | 2017-01-25 | null | null | null | null | 5HQ7 | 1 | 1.9 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 64S | N-ethyl-6,7-dimethoxyquinazolin-4-amine | CCNc1c2cc(c(cc2ncn1)OC)OC | BRD4 | 233.271 |
45 | 5O97 | X-RAY DIFFRACTION | 2017-06-15 | 2018-06-27 | 9OE | 22,000 | IC50 | nM | 5O97 | 2 | 1.3 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 9OE | (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one | COc1cc(ccc1O)C=C2C(=NC(=O)S2)N | BRD4 | 250.279 |
47 | 5TI2 | X-RAY DIFFRACTION | 2016-09-30 | 2017-08-09 | null | null | null | null | 5TI2 | 4 | 1.65 | experimental | 10.1021/acsomega.7b00553 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7CJ | 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide | c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F | BRD4 | 334.372 |
48 | 5TI3 | X-RAY DIFFRACTION | 2016-09-30 | 2017-08-09 | null | null | null | null | 5TI3 | 5 | 1.703 | experimental | 10.1021/acsomega.7b00553 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7CG | 2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide | c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br | BRD4 | 474.174 |
51 | 5TI4 | X-RAY DIFFRACTION | 2016-09-30 | 2017-08-09 | null | null | null | null | 5TI4 | 5 | 1.62 | experimental | 10.1021/acsomega.7b00553 | Pheidole spadonia | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7CM | 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide | c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F | BRD4 | 368.817 |
52 | 5TI5 | X-RAY DIFFRACTION | 2016-10-01 | 2017-08-09 | null | null | null | null | 5TI5 | 5 | 1.83 | experimental | 10.1021/acsomega.7b00553 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7CN | 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide | c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br | BRD4 | 393.262 |
54 | 5TI6 | X-RAY DIFFRACTION | 2016-10-01 | 2017-08-09 | null | null | null | null | 5TI6 | 4 | 1.704 | experimental | 10.1021/acsomega.7b00553 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7CO | 2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide | c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F | BRD4 | 352.362 |
56 | 5TI7 | X-RAY DIFFRACTION | 2016-10-01 | 2017-08-09 | null | null | null | null | 5TI7 | 5 | 1.65 | experimental | 10.1021/acsomega.7b00553 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7CQ | 5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide | COc1ccc(cc1S(=O)(=O)Nc2cccc(c2)N3CCCC3=O)Br | BRD4 | 425.304 |
58 | 5WUU | X-RAY DIFFRACTION | 2016-12-21 | 2017-04-12 | null | null | null | null | 5WUU | 1 | 1.724 | experimental | 10.1016/j.bmcl.2017.03.012 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7UU | ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide | CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3 | BRD4 | 342.42 |
60 | 5Z8G | X-RAY DIFFRACTION | 2018-01-31 | 2019-02-06 | 99L | 32,230 | IC50 | nM | 5Z8G | 2 | 1.701 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 99L | 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O | BRD4 | 360.435 |
61 | 5Z8R | X-RAY DIFFRACTION | 2018-02-01 | 2019-02-06 | null | null | null | null | 5Z8R | 1 | 2 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 99O | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O | BRD4 | 360.435 |
62 | 5Z8Z | X-RAY DIFFRACTION | 2018-02-01 | 2019-02-06 | null | null | null | null | 5Z8Z | 1 | 1.8 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 99R | 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)N | BRD4 | 359.451 |
63 | 5Z90 | X-RAY DIFFRACTION | 2018-02-01 | 2019-02-06 | 99U | 1,910 | IC50 | nM | 5Z90 | 1 | 1.8 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 99U | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4 | BRD4 | 330.409 |
65 | 5Z9C | SOLUTION NMR | 2018-02-02 | 2018-02-14 | null | null | null | null | 5Z9C | 1 | null | experimental | 10.1128/JVI.02056-17 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | MQO | 8-methoxy-6-methylquinolin-4(1H)-one | Cc1cc2c(c(c1)OC)NC=CC2=O | BRD4 | 189.214 |
66 | 5Z9K | X-RAY DIFFRACTION | 2018-02-03 | 2019-02-06 | null | null | null | null | 5Z9K | 1 | 1.89 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 99X | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4CO | BRD4 | 360.435 |
68 | 6AJV | X-RAY DIFFRACTION | 2018-08-28 | 2019-06-12 | null | null | null | null | 6AJV | 5 | 1.45 | experimental | 10.1111/febs.14736 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | HCC | 2',4,4'-TRIHYDROXYCHALCONE | c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O | BRD4 | 256.257 |
72 | 6AJX | X-RAY DIFFRACTION | 2018-08-28 | 2019-06-12 | null | null | null | null | 6AJX | 3 | 1.887 | experimental | 10.1111/febs.14736 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | HCC | 2',4,4'-TRIHYDROXYCHALCONE | c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O | BRD4 | 256.257 |
74 | 6AJY | X-RAY DIFFRACTION | 2018-08-28 | 2019-06-12 | null | null | null | null | 6AJY | 3 | 1.6 | experimental | 10.1111/febs.14736 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | A0R | 2',4'-dihydroxy-2-methoxychalcone | COc1ccccc1C=CC(=O)c2ccc(cc2O)O | BRD4 | 270.284 |
76 | 6AJZ | X-RAY DIFFRACTION, NEUTRON DIFFRACTION | 2018-08-28 | 2019-06-12 | null | null | null | null | 6AJZ | 2 | 1.301, 1.847 | experimental | 10.1111/febs.14736 | 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 |
80 | 6G0F | X-RAY DIFFRACTION | 2018-03-18 | 2020-01-08 | null | null | null | null | 6G0F | 2 | 1.618 | experimental | 10.26434/chemrxiv.11472618 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EGH | (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one | COc1cc2c(c(c1OC)OC)C(CC(=O)N2)c3cc(ccc3F)Br | BRD4 | 410.239 |
82 | 6JJ5 | X-RAY DIFFRACTION | 2019-02-25 | 2020-02-26 | null | null | null | null | 6JJ5 | 1 | 1.2 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | C6X | 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide | CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N | BRD4 | 382.423 |
83 | 6JJ6 | X-RAY DIFFRACTION | 2019-02-25 | 2020-02-26 | null | null | null | null | 6JJ6 | 1 | 1.4 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | C89 | 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one | CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C | BRD4 | 465.557 |
86 | 6YIN | X-RAY DIFFRACTION | 2020-04-01 | 2020-04-15 | OS8 | 3,162 | Kd | nM | 6YIN | 1 | 1.53 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | OS8 | (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide | CC1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC | BRD4 | 422.529 |
90 | 6ZED | X-RAY DIFFRACTION | 2020-06-16 | 2020-07-29 | null | null | null | null | 6ZED | 3 | 1.08 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QGN | 4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine | Cc1c(nnc2c1c(n[nH]2)N)C | BRD4 | 163.184 |
91 | 6ZEL | X-RAY DIFFRACTION | 2020-06-16 | 2020-07-29 | QGQ | 30,000 | IC50 | nM | 6ZEL | 4 | 1.12 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QGQ | 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole | Cc1cc(ncn1)SCc2c(noc2C)C | BRD4 | 235.312 |
94 | 6ZF9 | X-RAY DIFFRACTION | 2020-06-16 | 2020-07-29 | QHE | 26,000 | IC50 | nM | 6ZF9 | 4 | 1.2 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | QHE | 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole | CCc1nnc2n1c(cs2)c3ccccc3 | BRD4 | 229.308 |
95 | 7AQT | SOLUTION NMR | 2020-10-23 | 2022-03-02 | null | null | null | null | 7AQT | 1 | null | experimental | 10.1021/acs.jmedchem.1c01703 | Escherichia coli BL21(DE3) | 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 |
96 | 7EHW | X-RAY DIFFRACTION | 2021-03-30 | 2022-03-30 | null | null | null | null | 7EHW | 1 | 1.65 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | J4O | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone | CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C | BRD4 | 352.438 |
97 | 7EHY | X-RAY DIFFRACTION | 2021-03-30 | 2022-03-30 | null | null | null | null | 7EHY | 1 | 1.51 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | YD8 | 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone | Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C | BRD4 | 351.454 |
98 | 7EIG | X-RAY DIFFRACTION | 2021-03-31 | 2022-04-06 | null | null | null | null | 7EIG | 1 | 1.3 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | N03 | 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone | Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C | BRD4 | 330.391 |
99 | 7MR8 | X-RAY DIFFRACTION | 2021-05-07 | 2022-05-11 | null | null | null | null | 7MR8 | 3 | 1.2 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | ZNJ | N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid | Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)(=O)C(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O)Nc3ccc(c(c3)F)C(=O)NC4CCNCC4 | BRD4 | 728.804 |
101 | 7RUH | X-RAY DIFFRACTION | 2021-08-17 | 2022-08-24 | null | null | null | null | 7RUH | 1 | 1.7 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7QZ | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C | BRD4 | 719.721 |
102 | 7RUI | X-RAY DIFFRACTION | 2021-08-17 | 2022-08-24 | null | null | null | null | 7RUI | 1 | 1.35 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7QZ | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C | BRD4 | 719.721 |
103 | 7RXS | X-RAY DIFFRACTION | 2021-08-23 | 2022-01-19 | 7ZT | 100 | IC50 | nM | 7RXS | 2 | 1.43 | experimental | 10.1021/acs.jmedchem.1c01779 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7ZT | 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN)c5ccc(cc5)I)C | BRD4 | 580.474 |
105 | 7RXT | X-RAY DIFFRACTION | 2021-08-23 | 2022-01-19 | 7ZK | 260 | IC50 | nM | 7RXT | 1 | 1.68 | experimental | 10.1021/acs.jmedchem.1c01779 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 7ZK | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN)c5ccc(cc5)I)C | BRD4 | 580.474 |
106 | 7V1U | X-RAY DIFFRACTION | 2021-08-06 | 2022-08-10 | null | null | null | null | 7V1U | 2 | 1.82 | experimental | 10.1038/s41401-022-00881-y | Escherichia coli BL21 | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5.00E+03 | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC | BRD4 | 362.407 |
108 | 7V2J | X-RAY DIFFRACTION | 2021-08-09 | 2022-08-17 | null | null | null | null | 7V2J | 1 | 2.24 | experimental | 10.1038/s41401-022-00881-y | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 5FZ | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccc(cc3)OC | BRD4 | 362.407 |
109 | 7WL4 | X-RAY DIFFRACTION | 2022-01-12 | 2022-08-10 | null | null | null | null | 7WL4 | 4 | 1.82 | experimental | 10.1016/j.bioorg.2022.105917 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | JFU | ~{N}-[2-ethyl-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]-2,4-bis(fluoranyl)benzenesulfonamide | CCN1c2ccc(c3c2c(cc(n3)N4CCN(CC4)C)C1=O)NS(=O)(=O)c5ccc(cc5F)F | BRD4 | 487.532 |
110 | 7WWZ | X-RAY DIFFRACTION | 2022-02-14 | 2022-06-08 | null | null | null | null | 7WWZ | 1 | 1.16 | experimental | 10.1038/s41388-022-02327-5 | Escherichia coli BL21(DE3) | Homo sapiens | Isoform C of Bromodomain-containing protein 4, Protein HUNK1 | 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 |
111 | 7ZA8 | X-RAY DIFFRACTION | 2022-03-22 | 2022-12-07 | null | null | null | null | 7ZA8 | 2 | 1.04 | experimental | 10.1021/acs.jmedchem.2c01357 | Escherichia coli BL21(DE3) | Homo sapiens | Isoform C of Bromodomain-containing protein 4, Protein HUNK1 | 1 | HGQ | 4-bromanyl-1~{H}-pyridin-2-one | C1=CNC(=O)C=C1Br | BRD4 | 173.997 |
112 | 8C11 | X-RAY DIFFRACTION | 2022-12-19 | 2023-12-27 | null | null | null | null | 8C11 | 1 | 1.8 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | SY0 | (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide | CCNC(=O)C(C)NC(=O)Cn1cc(cn1)c2c(noc2C)C | BRD4 | 319.365 |
116 | 8WYP | X-RAY DIFFRACTION | 2023-10-31 | 2024-05-22 | null | null | null | null | 8WYP | 2 | 1.24 | experimental | 10.1016/j.bbrc.2023.149284 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | XUK | 3-bromanylimidazo[1,2-a]pyridin-6-amine | c1cc2ncc(n2cc1N)Br | BRD4 | 212.05 |
117 | 8ZM8 | X-RAY DIFFRACTION | 2024-05-22 | 2024-12-11 | null | null | null | null | 8ZM8 | 3 | 3 | experimental | 10.1021/acs.jmedchem.4c02516 | Escherichia coli | Homo sapiens | BRD4_HUMAN, Protein HUNK1 | 1 | A1L1X | 2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one | CCc1[nH]c(c(n1)COC)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5c(cc(cc5C)F)C)C(C)(C)O | BRD4 | 559.638 |
119 | 9QNV | X-RAY DIFFRACTION | 2025-03-25 | 2025-05-14 | null | null | null | null | 9QNV | 6 | 1.226 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | A1I76 | 3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole | Cc1nnc2n1c(cs2)c3ccccc3 | BRD4 | 215.281 |
122 | 9QOB | X-RAY DIFFRACTION | 2025-03-25 | 2025-05-14 | null | null | null | null | 9QOB | 3 | 1.37 | experimental | null | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | A1I8D | (5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol | c1ccc(cc1)c2csc3n2c(nn3)CO | BRD4 | 231.28 |
124 | 4MEO | X-RAY DIFFRACTION | 2013-08-27 | 2013-09-25 | 25V | 42,000 | IC50 | nM | 4MEO | 3 | 1.72 | experimental | 10.1021/jm4011302 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 25V | N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide | Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C | BRD4 | 292.338 |
126 | 4O70 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O70 | 9 | 1.55 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1QK | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium | CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCCC4CCO | BRD4 | 397.503 |
128 | 4O71 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O71 | 7 | 1.36 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE | CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O | BRD4 | 401.846 |
130 | 4O72 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | 2R4 | 1,000 | IC50 | nM | 4O72 | 10 | 1.4 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2R4 | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one | c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6 | BRD4 | 413.498 |
134 | 4O74 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | R78 | 37 | Kd | nM | 4O74 | 6 | 1.45 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | R78 | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C | BRD4 | 521.666 |
150 | 4O76 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | 1M3 | 790 | IC50 | nM | 4O76 | 8 | 1.7 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 1M3 | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide | Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C | BRD4 | 509.68 |
155 | 4O78 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | SAV | 4,600 | IC50 | nM | 4O78 | 8 | 1.34 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | SAV | N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC | BRD4 | 406.446 |
157 | 4O78 | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | SAV | 4,600 | IC50 | nM | 4O78 | 8 | 1.34 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | BRD4 | 150.174 |
159 | 4O7E | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O7E | 7 | 1.85 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RN | 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol | c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O | BRD4 | 313.36 |
161 | 4O7F | X-RAY DIFFRACTION | 2013-12-24 | 2014-03-05 | null | null | null | null | 4O7F | 9 | 1.8 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2RQ | 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine | COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F | BRD4 | 445.498 |
164 | 4PS5 | X-RAY DIFFRACTION | 2014-03-06 | 2014-03-19 | 2TA | 164 | Kd | nM | 4PS5 | 6 | 1.4 | experimental | 10.1021/cb500072z | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 2TA | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 | BRD4 | 524.691 |
168 | 5BT4 | X-RAY DIFFRACTION | 2015-06-02 | 2015-07-01 | 2LO | 7,940 | IC50 | nM | 5BT4 | 5 | 1.5 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1, BRD4 | 1 | 2LO | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CC(C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC | BRD4 | 509.05 |
179 | 5I88 | X-RAY DIFFRACTION | 2016-02-18 | 2016-10-12 | 69G | 330 | IC50 | nM | 5I88 | 6 | 1.4 | experimental | 10.1021/acs.jmedchem.6b00264 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | PGE | TRIETHYLENE GLYCOL | C(COCCOCCO)O | BRD4 | 150.174 |
182 | 5I88 | X-RAY DIFFRACTION | 2016-02-18 | 2016-10-12 | 69G | 330 | IC50 | nM | 5I88 | 6 | 1.4 | experimental | 10.1021/acs.jmedchem.6b00264 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 69G | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide | CC=CCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C | BRD4 | 335.407 |
184 | 5WMA | X-RAY DIFFRACTION | 2017-07-28 | 2018-08-01 | null | null | null | null | 5WMA | 2 | 1.401 | experimental | 10.1158/2159-8290.CD-17-0902 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 6JC | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine | Cc1c(c(on1)C)c2cc3cc[nH]c3nc2 | BRD4 | 213.24 |
186 | 5WMD | X-RAY DIFFRACTION | 2017-07-28 | 2018-08-01 | null | null | null | null | 5WMD | 1 | 1.27 | experimental | 10.1158/2159-8290.CD-17-0902 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 6JE | 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]-N-(4-hydroxyphenyl)acetamide | Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C | BRD4 | 492.004 |
188 | 5WMG | X-RAY DIFFRACTION | 2017-07-28 | 2018-08-01 | null | null | null | null | 5WMG | 4 | 1.19 | experimental | 10.1158/2159-8290.CD-17-0902 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | 6JF | 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid | Cc1c(c(on1)C)c2cc3c(c(cn3C(C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2 | BRD4 | 438.487 |
189 | 6E4A | X-RAY DIFFRACTION | 2018-07-17 | 2018-09-12 | HRY | 18 | Kd | nM | 6E4A | 5 | 1.26 | experimental | 10.1016/j.bmcl.2018.08.039 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | HRY | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one | CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl | BRD4 | 532.092 |
195 | 6G0E | X-RAY DIFFRACTION | 2018-03-18 | 2020-01-08 | null | null | null | null | 6G0E | 6 | 1.613 | experimental | 10.26434/chemrxiv.11472618 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EGN | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one | CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4 | BRD4 | 414.595 |
198 | 6G0H | X-RAY DIFFRACTION | 2018-03-18 | 2020-01-08 | null | null | null | null | 6G0H | 3 | 1.907 | experimental | 10.26434/chemrxiv.11472618 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | EGE | 4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid | c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3cc(c(cc3N)O)C(=O)O | BRD4 | 413.415 |
199 | 6KEC | X-RAY DIFFRACTION | 2019-07-04 | 2020-07-08 | null | null | null | null | 6KEC | 5 | 1.35 | experimental | 10.3390/molecules26061686 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | D9C | 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC | BRD4 | 353.374 |
202 | 6KEH | X-RAY DIFFRACTION | 2019-07-04 | 2020-07-08 | null | null | null | null | 6KEH | 5 | 1.553 | experimental | 10.3390/molecules26061686 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | D6R | 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC | BRD4 | 309.321 |
203 | 6KEI | X-RAY DIFFRACTION | 2019-07-04 | 2020-07-08 | null | null | null | null | 6KEI | 3 | 1.451 | experimental | 10.3390/molecules26061686 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | D6U | 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5 | BRD4 | 386.407 |
205 | 6KEJ | X-RAY DIFFRACTION | 2019-07-04 | 2020-07-08 | null | null | null | null | 6KEJ | 3 | 1.85 | experimental | 10.3390/molecules26061686 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | D7F | 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C | BRD4 | 394.471 |
207 | 6KEK | X-RAY DIFFRACTION | 2019-07-04 | 2020-07-08 | null | null | null | null | 6KEK | 8 | 1.553 | experimental | 10.3390/molecules26061686 | Escherichia coli | Homo sapiens | Bromodomain-containing protein 4, Protein HUNK1 | 1 | D7L | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O | BRD4 | 295.294 |
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