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Target
Bromodomain-containing protein 4
Ligand
BDBM50544600
Substrate
n/a
Meas. Tech.
ChEMBL_1993245 (CHEMBL4626980)
IC50
631±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:
BDBM50544600
Synonyms:
CHEMBL4641414
Type:
Small organic molecule
Emp. Form.:
C26H28N6O3
Mol. Mass.:
472.5389
SMILES:
CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCCN)cc23)n(C)c1=O |(48.2,-4.84,;49.7,-4.51,;50.17,-3.05,;51.68,-2.73,;52.15,-1.27,;51.11,-.12,;49.6,-.46,;49.14,-1.92,;50.74,-5.65,;50.42,-7.15,;51.75,-7.92,;51.77,-9.46,;50.43,-10.24,;49.1,-9.47,;47.76,-10.25,;46.43,-9.48,;45.1,-10.24,;43.69,-9.61,;43.37,-8.11,;42.66,-10.76,;43.43,-12.09,;44.93,-11.77,;46.08,-12.8,;46.43,-7.93,;45.1,-7.16,;45.1,-5.62,;43.76,-4.85,;43.76,-3.31,;42.43,-2.54,;47.76,-7.16,;49.1,-7.93,;52.89,-6.89,;54.4,-7.2,;52.26,-5.49,;53.03,-4.15,)|
Structure:
Search PDB for entries with ligand similarity: