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Target
Bromodomain-containing protein 4 [57-168]
Ligand
BDBM220679
Substrate
n/a
Meas. Tech.
Bromodomain Domain Binding Assay
pH
6±n/a
Temperature
298.15±n/a K
Ki
0.76±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:
BDBM220679
Synonyms:
US9296741, 268
Type:
Small organic molecule
Emp. Form.:
C24H30N2O5S
Mol. Mass.:
458.57
SMILES:
CCS(=O)(=O)c1ccc(OC2CCC(C)(CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |(5.69,1.13,;6.46,2.46,;5.69,3.8,;4.92,5.13,;7.03,4.57,;4.36,3.03,;3.03,3.8,;1.69,3.03,;1.69,1.49,;.36,.72,;-.97,1.49,;-2.31,.72,;-3.64,1.49,;-3.64,3.03,;-5.18,3.08,;-2.31,3.8,;-.97,3.03,;-4.46,4.33,;-6,4.28,;3.03,.72,;4.36,1.49,;3.03,-.82,;4.36,-1.59,;4.36,-3.13,;5.69,-3.9,;3.03,-3.9,;3.03,-5.44,;1.69,-3.13,;.23,-3.61,;-.68,-2.36,;.23,-1.12,;1.69,-1.59,)|
Structure:
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