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Target
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]
Ligand
BDBM331445
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay
IC50
<1±n/a nM
Citation
 Norris, DJ; Vaccaro, W; DeBenedetto, MV; Degnan, AP; Delucca, GV; Deskus, JA; Han, W; Kumi, GK; Schmitz, WD; Starrett, Jr., JE; Hill, MD; Huang, H Tricyclic compounds as anticancer agents US Patent  US9725449 Publication Date 8/8/2017 
Target
Name:
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]
Synonyms:
Bromodomain BRD4
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 4 components.
Component 1
Name:
Bromodomain-containing protein 4 [44-168]
Synonyms:
BET bromodomain 4(1) (BRD4(1)) | BRD4 | BRD4-BD1 protein (aa 44-168) | BRD4_HUMAN | Bromodomain protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4) (aa 44-168) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 bromodomain 1 (BRD4-BD1) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14866.49
Organism:
Homo sapiens (Human)
Description:
aa (44-168)
Residue:
125
Sequence:
NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
  
Component 2
Name:
Bromodomain-containing protein 4 [333-460]
Synonyms:
BET bromodomain 4(2) (BRD4(2)) | BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14818.38
Organism:
Homo sapiens (Human)
Description:
aa (333-460)
Residue:
128
Sequence:
KDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Component 3
Name:
Bromodomain-containing protein 4 [1-477]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4 (aa 1-477) | Bromodomain-containing protein 4 (aa 1-477) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
53061.90
Organism:
Homo sapiens (Human)
Description:
aa (1-477)
Residue:
477
Sequence:
MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPPPT
  
Component 4
Name:
Bromodomain-containing protein 4 [44-460]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
47039.29
Organism:
Homo sapiens (Human)
Description:
aa (44-460)
Residue:
417
Sequence:
NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Inhibitor
Name:
BDBM331445
Synonyms:
US9725449, Example 282
Type:
Small organic molecule
Emp. Form.:
C31H34F2N6O2
Mol. Mass.:
560.6375
SMILES:
COc1ncc(c2n([C@@H](C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O |r|
Structure:
Search PDB for entries with ligand similarity: