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Target
Bromodomain-containing protein 4
Ligand
BDBM50578787
Substrate
n/a
Meas. Tech.
ChEMBL_2134189 (CHEMBL4843799)
IC50
158±n/a nM
Citation
 Jones, KL; Beaumont, DM; Bernard, SG; Bit, RA; Campbell, SP; Chung, CW; Cutler, L; Demont, EH; Dennis, K; Gordon, L; Gray, JR; Haase, MV; Lewis, AJ; McCleary, S; Mitchell, DJ; Moore, SM; Parr, N; Robb, OJ; Smithers, N; Soden, PE; Suckling, CJ; Taylor, S; Walker, AL; Watson, RJ; Prinjha, RK Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem 64:12200-12227 (2021) [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:
BDBM50578787
Synonyms:
CHEMBL4874801
Type:
Small organic molecule
Emp. Form.:
C26H28N6O3
Mol. Mass.:
472.5389
SMILES:
COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)|
Structure:
Search PDB for entries with ligand similarity: