Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2
Ligand
BDBM50459819
Substrate
n/a
Meas. Tech.
ChEMBL_1767165 (CHEMBL4219277)
Ki
0.270000±n/a nM
Citation
 Zhou, B; Hu, J; Xu, F; Chen, Z; Bai, L; Fernandez-Salas, E; Lin, M; Liu, L; Yang, CY; Zhao, Y; McEachern, D; Przybranowski, S; Wen, B; Sun, D; Wang, S Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression. J Med Chem 61:462-481 (2018) [PubMed]  Article 
Target
Name:
Bromodomain-containing protein 2
Synonyms:
BRD2 | BRD2_HUMAN | Bromodomain and extra-terminal motif (BET) | Bromodomain-containing protein 2 | Bromodomain-containing protein 2 (BRD2) | KIAA9001 | RING3
Type:
Protein
Mol. Mass.:
88085.95
Organism:
Homo sapiens (Human)
Description:
P25440
Residue:
801
Sequence:
MLQNVTPHNKLPGEGNAGLLGLGPEAAAPGKRIRKPSLLYEGFESPTMASVPALQLTPANPPPPEVSNPKKPGRVTNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQPMDMGTIKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFLQKVASMPQEEQELVVTIPKNSHKKGAKLAALQGSVTSAHQVPAVSSVSHTALYTPPPEIPTTVLNIPHPSVISSPLLKSLHSAGPPLLAVTAAPPAQPLAKKKGVKRKADTTTPTPTAILAPGSPASPPGSLEPKAARLPPMRRESGRPIKPPRKDLPDSQQQHQSSKKGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPDEPLEPGPLPVSTAMPPGLAKSSSESSSEESSSESSSEEEEEEDEEDEEEEESESSDSEEERAHRLAELQEQLRAVHEQLAALSQGPISKPKRKREKKEKKKKRKAEKHRGRAGADEDDKGPRAPRPPQPKKSKKASGSGGGSAALGPSGFGPSGGSGTKLPKKATKTAPPALPTGYDSEEEEESRPMSYDEKRQLSLDINKLPGEKLGRVVHIIQAREPSLRDSNPEEIEIDFETLKPSTLRELERYVLSCLRKKPRKPYTIKKPVGKTKEELALEKKRELEKRLQDVSGQLNSTKKPPKKANEKTESSSAQQVAVSRLSASSSSSDSSSSSSSSSSSDTSDSDSG
  
Inhibitor
Name:
BDBM50459819
Synonyms:
CHEMBL4228445
Type:
Small organic molecule
Emp. Form.:
C26H28N8O3
Mol. Mass.:
500.5523
SMILES:
CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NC)C1CC1 |(34.96,-28.14,;33.49,-28.62,;32.34,-27.6,;32.49,-26.07,;31.08,-25.45,;30.06,-26.6,;30.85,-27.93,;30.23,-29.34,;31.14,-30.58,;32.66,-30.41,;33.58,-31.65,;32.96,-33.05,;31.44,-33.22,;30.55,-34.48,;29.08,-34.01,;27.74,-34.79,;26.4,-34.02,;25.07,-34.79,;24.91,-36.32,;26.05,-37.35,;23.4,-36.64,;22.63,-35.31,;23.67,-34.16,;23.35,-32.66,;26.4,-32.47,;25.07,-31.7,;25.07,-30.16,;27.73,-31.7,;29.07,-32.47,;30.53,-31.98,;35.11,-31.48,;35.73,-30.07,;36.02,-32.72,;35.4,-34.13,;30.74,-23.95,;31.21,-22.48,;29.7,-22.81,)|
Structure:
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