Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [1-477]
Ligand
BDBM445536
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay
IC50
<1±n/a nM
Citation
 Quesnelle, CA; Harikrishnan, LS; Hill, MD Tricyclic compounds as anticancer agents US Patent  US10683290 Publication Date 6/16/2020 
Target
Name:
Bromodomain-containing protein 4 [1-477]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4)(1-477) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52863.68
Organism:
Homo sapiens (Human)
Description:
O60885[1-477]
Residue:
475
Sequence:
MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPP
  
Inhibitor
Name:
BDBM445536
Synonyms:
5-{8-Fluoro-5-[(S)-(2-fluorophenyl)(oxan-4-yl)methyl]-3-methanesulfonyl-5H-pyrido[3,2-b]indol-7-yl}-4-(2H3)methyl-1-methyl-1H-1,2,3-triazole | US10683290, Example 28
Type:
Small organic molecule
Emp. Form.:
C28H27F2N5O3S
Mol. Mass.:
551.607
SMILES:
Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)S(C)(=O)=O |wD:11.11,(-3.61,-5.6,;-3.77,-4.07,;-5.1,-3.3,;-4.78,-1.8,;-3.25,-1.64,;-2.48,-.3,;-2.63,-3.04,;-1.12,-3.36,;-.09,-2.22,;1.42,-2.54,;2.66,-1.63,;2.66,-.09,;4,.68,;4,2.22,;5.33,2.99,;6.66,2.22,;6.66,.68,;5.33,-.09,;1.33,.68,;-0,-.09,;-1.34,.68,;-1.34,2.22,;-0,2.99,;1.33,2.22,;2.66,2.99,;3.91,-2.54,;5.42,-2.22,;6.45,-3.36,;5.97,-4.83,;4.46,-5.15,;3.43,-4,;1.89,-4,;.86,-5.15,;-.64,-4.83,;-1.67,-5.97,;7.95,-3.04,;7.63,-1.54,;9.46,-2.72,;8.27,-4.55,)|
Structure:
Search PDB for entries with ligand similarity: