Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [1-477]
Ligand
BDBM445556
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay
IC50
<5±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:
BDBM445556
Synonyms:
US10683290, Example 54
Type:
Small organic molecule
Emp. Form.:
C28H30FN7O2
Mol. Mass.:
515.5819
SMILES:
Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccn3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:11.11,(4.65,-1.19,;5.42,.14,;6.95,.3,;7.27,1.81,;5.94,2.58,;6.34,4.07,;4.79,1.55,;3.29,1.87,;2.26,.73,;.75,1.05,;-.5,.14,;-.5,-1.4,;-1.83,-2.17,;-3.16,-1.4,;-4.5,-2.17,;-4.5,-3.71,;-3.16,-4.48,;-1.83,-3.71,;.84,-2.17,;.84,-3.71,;2.17,-4.48,;3.51,-3.71,;3.51,-2.17,;2.17,-1.4,;-1.74,1.05,;-3.25,.73,;-4.28,1.87,;-3.8,3.33,;-2.3,3.65,;-1.27,2.51,;.27,2.51,;1.31,3.65,;2.81,3.33,;3.84,4.48,;-5.78,1.55,;-6.81,2.69,;-7.27,1.15,;-6.26,.09,)|
Structure:
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