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Target
Bromodomain-containing protein 4
Ligand
BDBM50366692
Substrate
n/a
Meas. Tech.
ChEMBL_1735456 (CHEMBL4150992)
Ki
1.2±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:
BDBM50366692
Synonyms:
CHEMBL4162784
Type:
Small organic molecule
Emp. Form.:
C25H29N7O2
Mol. Mass.:
459.5435
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C(C)(C)C)c21 |(75.7,-45.74,;74.45,-44.84,;73.05,-45.48,;72.9,-47.01,;71.5,-47.65,;70.25,-46.75,;70.39,-45.22,;71.79,-44.58,;71.93,-43.06,;70.78,-42.04,;69.27,-42.38,;71.39,-40.63,;72.92,-40.77,;73.26,-42.28,;74.67,-42.89,;69,-47.67,;69.49,-49.14,;68.73,-50.47,;69.5,-51.8,;68.73,-53.14,;71.05,-51.8,;71.81,-50.47,;73.35,-50.47,;74.12,-51.8,;73.5,-53.21,;74.64,-54.24,;75.98,-53.47,;75.66,-51.97,;76.69,-50.82,;74.48,-55.77,;73.07,-56.4,;75.73,-56.68,;74.07,-57.25,;71.04,-49.12,)|
Structure:
Search PDB for entries with ligand similarity: