Reaction Details Report a problem with these data
Target
P2Y purinoceptor 1
Ligand
BDBM245379
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA)
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
8.7±n/a nM
Comments
extracted
Citation
 Thibeault, C; Clark, CG; DeLucca, I; Hu, CH; Jeon, Y; Lam, PY; Qiao, JX; Yang, W; Wang, Y; Wang, TC 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor US Patent  US9428504 Publication Date 8/30/2016 
Target
Name:
P2Y purinoceptor 1
Synonyms:
ATP receptor | P2RY1 | P2RY1_HUMAN | P2Y purinoceptor 1 (P2Y1) | P2Y1 | Purinergic receptor | Purinergic receptor P2Y1
Type:
Enzyme
Mol. Mass.:
42090.25
Organism:
Homo sapiens (Human)
Description:
P47900
Residue:
373
Sequence:
MTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
  
Inhibitor
Name:
BDBM245379
Synonyms:
US9428504, 129
Type:
Small organic molecule
Emp. Form.:
C36H37F3N6O3S2
Mol. Mass.:
722.843
SMILES:
COc1ccc2nc(sc2c1)-c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1csc(n1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: