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Target
Bromodomain-containing protein 4 [342-460]/[42-168]
Ligand
BDBM111086
Substrate
n/a
Meas. Tech.
Amplified Luminescent Proximity Homogeneous Assay (ALPHA)
Temperature
298.15±n/a K
IC50
442000±n/a nM
Comments
extracted
Citation
 Vankayalapati, H; Yoshioka, M; Strovel, JW; Padia, JK Methods and compositions for inhibition of bromodomain-containing proteins US Patent  US9695179 Publication Date 7/4/2017 
Target
Name:
Bromodomain-containing protein 4 [342-460]/[42-168]
Synonyms:
BRD4-BD1-BD2
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 3 components.
Component 1
Name:
Bromodomain-containing protein 4 [42-168]
Synonyms:
BRD4 | BRD4 BD1 (aa 42-168) | BRD4_HUMAN | Bromodomain-containing protein 4 Bromo Domain 1 | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
15054.68
Organism:
Homo sapiens (Human)
Description:
O60885[42-168]
Residue:
127
Sequence:
STNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
  
Component 2
Name:
Bromodomain-containing protein 4 [342-460]
Synonyms:
BRD4 | BRD4-BD2 (aa 342-460) | BRD4_HUMAN | Bromodomain containing 4 (aa 342-460) | Bromodomain-containing protein 4 (BRD4)(BD2) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13783.81
Organism:
Homo sapiens (Human)
Description:
a.a. 342-460 (BRD4-BD2)
Residue:
119
Sequence:
PAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Inhibitor
Name:
BDBM111086
Synonyms:
US9695179, 83
Type:
Small organic molecule
Emp. Form.:
C28H23ClN2O6S
Mol. Mass.:
551.01
SMILES:
COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(C)cc3)c(-c3coc(C)n3)c2=O)cc1
Structure:
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