Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [57-168]
Ligand
BDBM220454
Substrate
n/a
Meas. Tech.
Bromodomain Domain Binding Assay
pH
6±n/a
Temperature
298.15±n/a K
Ki
1.7±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:
BDBM220454
Synonyms:
US9296741, 43
Type:
Small organic molecule
Emp. Form.:
C23H19F2N3O4S
Mol. Mass.:
471.476
SMILES:
Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O
Structure:
Search PDB for entries with ligand similarity: