Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2 [364-436]
Ligand
BDBM179627
Substrate
n/a
Meas. Tech.
FP Competitive Binding Assay (No.350)
Temperature
298.15±n/a K
Ki
6.50±n/a nM
Comments
extracted
Citation
 Wang, S; Ran, X; Zhao, Y; Yang, C; Liu, L; Bai, L; McEachern, D; Stuckey, J; Meagher, JL; Sun, D; Li, X; Zhou, B; Karatas, H; Luo, R; Chinnaiyan, A; Asangani, IA BET bromodomain inhibitors and therapeutic methods using the same US Patent  US9675697 Publication Date 6/13/2017 
Target
Name:
Bromodomain-containing protein 2 [364-436]
Synonyms:
BRD2 | BRD2_HUMAN | Bromodomain-containing protein 2 (BRD2)(BD2) | Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2) | KIAA9001 | RING3
Type:
Protein
Mol. Mass.:
8615.14
Organism:
Homo sapiens (Human)
Description:
BD2 (364-436 aa) of P25440
Residue:
73
Sequence:
KHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVV
  
Inhibitor
Name:
BDBM179627
Synonyms:
US9675697, Cpd. No. 213
Type:
Small organic molecule
Emp. Form.:
C33H39N7O4
Mol. Mass.:
597.7073
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-2.87,11.54,;-2.63,13.15,;-1.13,12.65,;2.46,-1.17,)|
Structure:
Search PDB for entries with ligand similarity: