Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2 [364-436]
Ligand
BDBM179492
Substrate
n/a
Meas. Tech.
FP Competitive Binding Assay (No.350)
Temperature
298.15±n/a K
Ki
5.10±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:
BDBM179492
Synonyms:
US9675697, Cpd. No. 207
Type:
Small organic molecule
Emp. Form.:
C33H32N6O3
Mol. Mass.:
560.6456
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)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,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;.08,8.64,;-1.16,7.74,;-2.57,8.36,;-1,6.2,;.41,5.58,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)|
Structure:
Search PDB for entries with ligand similarity: