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Target
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]
Ligand
BDBM331458
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:
BDBM331458
Synonyms:
5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8-[(S)-oxan-4-yl(phenyl)methyl]-N-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2 | US9725449, Example 295
Type:
Small organic molecule
Emp. Form.:
C29H31N11O
Mol. Mass.:
549.6295
SMILES:
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCc3nnn[nH]3)ccc21 |r|
Structure:
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