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Target
Bromodomain-containing protein 4 [57-168]
Ligand
BDBM220659
Substrate
n/a
Meas. Tech.
Bromodomain Domain Binding Assay
pH
6±n/a
Temperature
298.15±n/a K
Ki
1.9±n/a nM
Comments
extracted
Citation
 Wang, L; Pratt, JK; McDaniel, KF; Dai, Y; Fidanze, SD; Hasvold, L; Holms, JH; Kati, WM; Liu, D; Mantei, RA; McClellan, WJ; Sheppard, GS; Wada, CK Bromodomain inhibitors US Patent  US9296741 Publication Date 3/29/2016 
Target
Name:
Bromodomain-containing protein 4 [57-168]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | Bromodomain-containing protein 4 (BRD4)(aa 57-168) | Bromodomain-containing protein 4 (BRD4-BD1) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13496.03
Organism:
Homo sapiens (Human)
Description:
BDI: amino acids K57-E168
Residue:
112
Sequence:
KRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
  
Inhibitor
Name:
BDBM220659
Synonyms:
US9296741, 248
Type:
Small organic molecule
Emp. Form.:
C23H28N2O5S
Mol. Mass.:
444.544
SMILES:
CCS(=O)(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:13.16,10.9,(5.73,1.29,;6.5,2.62,;5.73,3.95,;4.96,5.29,;7.07,4.72,;4.4,3.18,;3.06,3.95,;1.73,3.18,;1.73,1.64,;.4,.87,;-.94,1.64,;-.94,3.18,;-2.27,3.95,;-3.6,3.18,;-3.6,1.64,;-2.27,.87,;-4.94,3.95,;-6.27,3.18,;3.06,.87,;4.4,1.64,;3.06,-.67,;4.4,-1.44,;4.4,-2.98,;5.73,-3.75,;3.06,-3.75,;3.06,-5.29,;1.73,-2.98,;.27,-3.45,;-.64,-2.21,;.27,-.96,;1.73,-1.44,)|
Structure:
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