Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4
Ligand
BDBM50366671
Substrate
n/a
Meas. Tech.
ChEMBL_1735456 (CHEMBL4150992)
Ki
2.4±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:
BDBM50366671
Synonyms:
CHEMBL4170044
Type:
Small organic molecule
Emp. Form.:
C25H26F3N7O2
Mol. Mass.:
513.5148
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C(C)(C)C(F)(F)F)c21 |(24.72,-7.29,;23.47,-6.4,;22.07,-7.04,;21.92,-8.57,;20.52,-9.2,;19.27,-8.3,;19.41,-6.78,;20.81,-6.14,;20.95,-4.62,;19.79,-3.6,;18.29,-3.93,;20.4,-2.18,;21.94,-2.33,;22.27,-3.83,;23.69,-4.44,;18.02,-9.22,;18.51,-10.69,;17.74,-12.03,;18.52,-13.36,;17.75,-14.69,;20.06,-13.36,;20.83,-12.02,;22.37,-12.02,;23.14,-13.36,;22.52,-14.77,;23.66,-15.8,;24.99,-15.03,;24.67,-13.52,;25.71,-12.38,;23.5,-17.32,;25.04,-17.32,;24.27,-18.65,;22.09,-17.95,;21.93,-19.49,;20.85,-17.05,;20.75,-18.71,;20.06,-10.68,)|
Structure:
Search PDB for entries with ligand similarity: