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Target
Bromodomain-containing protein 4
Ligand
BDBM50544597
Substrate
n/a
Meas. Tech.
ChEMBL_1993235 (CHEMBL4626970)
IC50
50±n/a nM
Citation
 Wellaway, CR; Bamborough, P; Bernard, SG; Chung, CW; Craggs, PD; Cutler, L; Demont, EH; Evans, JP; Gordon, L; Karamshi, B; Lewis, AJ; Lindon, MJ; Mitchell, DJ; Rioja, I; Soden, PE; Taylor, S; Watson, RJ; Willis, R; Woolven, JM; Wyspia?ska, BS; Kerr, WJ; Prinjha, RK Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype. J Med Chem 63:9020-9044 (2020) [PubMed]  Article 
Target
Name:
Bromodomain-containing protein 4
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1 | Protein HUNK1
Type:
Protein
Mol. Mass.:
152264.84
Organism:
Homo sapiens (Human)
Description:
O60885
Residue:
1362
Sequence:
MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPPPTKVVAPPSSSDSSSDSSSDSDSSTDDSEEERAQRLAELQEQLKAVHEQLAALSQPQQNKPKKKEKDKKEKKKEKHKRKEEVEENKKSKAKEPPPKKTKKNNSSNSNVSKKEPAPMKSKPPPTYESEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLKPSTLRELERYVTSCLRKKRKPQAEKVDVIAGSSKMKGFSSSESESSSESSSSDSEDSETEMAPKSKKKGHPGREQKKHHHHHHQQMQQAPAPVPQQPPPPPQQPPPPPPPQQQQQPPPPPPPPSMPQQAAPAMKSSPPPFIATQVPVLEPQLPGSVFDPIGHFTQPILHLPQPELPPHLPQPPEHSTPPHLNQHAVVSPPALHNALPQQPSRPSNRAAALPPKPARPPAVSPALTQTPLLPQPPMAQPPQVLLEDEEPPAPPLTSMQMQLYLQQLQKVQPPTPLLPSVKVQSQPPPPLPPPPHPSVQQQLQQQPPPPPPPQPQPPPQQQHQPPPRPVHLQPMQFSTHIQQPPPPQGQQPPHPPPGQQPPPPQPAKPQQVIQHHHSPRHHKSDPYSTGHLREAPSPLMIHSPQMSQFQSLTHQSPPQQNVQPKKQELRAASVVQPQPLVVVKEEKIHSPIIRSEPFSPSLRPEPPKHPESIKAPVHLPQRPEMKPVDVGRPVIRPPEQNAPPPGAPDKDKQKQEPKTPVAPKKDLKIKNMGSWASLVQKHPTTPSSTAKSSSDSFEQFRRAAREKEEREKALKAQAEHAEKEKERLRQERMRSREDEDALEQARRAHEEARRRQEQQQQQRQEQQQQQQQQAAAVAAAATPQAQSSQPQSMLDQQRELARKREQERRRREAMAATIDMNFQSDLLSIFEENLF
  
Inhibitor
Name:
BDBM50544597
Synonyms:
GSK778
Type:
Small organic molecule
Emp. Form.:
C30H33N5O3
Mol. Mass.:
511.6147
SMILES:
COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)|
Structure:
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