Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2 [60-463]
Ligand
BDBM274302
Substrate
n/a
Meas. Tech.
TR-FRET In-Vitro Binding Assay
pH
7.5±n/a
IC50
31.0±n/a nM
Comments
extracted
Citation
 Rueger, H; Blank, J; Bordas, V; Cotesta, S; Bold, G; Guagnano, V; Vaupel, A Pyrrolopyrrolone derivatives and their use as BET inhibitors US Patent  US9550796 Publication Date 1/24/2017 
Target
Name:
Bromodomain-containing protein 2 [60-463]
Synonyms:
BRD2 | BRD2_HUMAN | Bromodomain-containing protein 2 | KIAA9001 | RING3
Type:
Enzyme Catalytic Domain (aa 60-463)
Mol. Mass.:
45228.55
Organism:
Homo sapiens (Human)
Description:
P25440[60-463]
Residue:
404
Sequence:
NPPPPEVSNPKKPGRVTNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQPMDMGTIKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFLQKVASMPQEEQELVVTIPKNSHKKGAKLAALQGSVTSAHQVPAVSSVSHTALYTPPPEIPTTVLNIPHPSVISSPLLKSLHSAGPPLLAVTAAPPAQPLAKKKGVKRKADTTTPTPTAILAPGSPASPPGSLEPKAARLPPMRRESGRPIKPPRKDLPDSQQQHQSSKKGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPDEPLEPGPL
  
Inhibitor
Name:
BDBM274302
Synonyms:
N-(6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)acetamide | US9550796, Example 103
Type:
Small organic molecule
Emp. Form.:
C23H21ClN6O2
Mol. Mass.:
448.905
SMILES:
CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: