Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4
Ligand
BDBM50366717
Substrate
n/a
Meas. Tech.
ChEMBL_1735456 (CHEMBL4150992)
Ki
<1.000000±n/a nM
Citation
 Zhao, Y; Zhou, B; Bai, L; Liu, L; Yang, CY; Meagher, JL; Stuckey, JA; McEachern, D; Przybranowski, S; Wang, M; Ran, X; Aguilar, A; Hu, Y; Kampf, JW; Li, X; Zhao, T; Li, S; Wen, B; Sun, D; Wang, S Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J Med Chem 61:6110-6120 (2018) [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:
BDBM50366717
Synonyms:
CHEMBL4176849
Type:
Small organic molecule
Emp. Form.:
C24H27N7O2
Mol. Mass.:
445.5169
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C(C)C)c21 |(63.74,-46.06,;62.48,-45.16,;61.08,-45.8,;60.93,-47.33,;59.53,-47.97,;58.28,-47.07,;58.43,-45.54,;59.82,-44.9,;59.96,-43.38,;58.81,-42.36,;57.3,-42.7,;59.42,-40.95,;60.95,-41.09,;61.29,-42.6,;62.7,-43.21,;57.04,-47.99,;57.52,-49.45,;56.76,-50.79,;57.53,-52.12,;56.76,-53.46,;59.08,-52.12,;59.84,-50.79,;61.38,-50.79,;62.15,-52.12,;61.53,-53.53,;62.67,-54.56,;64.01,-53.79,;63.69,-52.28,;64.72,-51.14,;62.51,-56.09,;61.11,-56.72,;63.76,-57,;59.07,-49.44,)|
Structure:
Search PDB for entries with ligand similarity: