Reaction Details Report a problem with these data
Target
P2Y purinoceptor 1
Ligand
BDBM50121987
Substrate
n/a
Meas. Tech.
ChEMBL_439403 (CHEMBL888516)
Ki
76±n/a nM
Citation
 Costanzi, S; Tikhonova, IG; Ohno, M; Roh, EJ; Joshi, BV; Colson, AO; Houston, D; Maddileti, S; Harden, TK; Jacobson, KA P2Y1 antagonists: combining receptor-based modeling and QSAR for a quantitative prediction of the biological activity based on consensus scoring. J Med Chem 50:3229-41 (2007) [PubMed]  Article 
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:
BDBM50121987
Synonyms:
CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-yl)-2-phosphonomethyl-propyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C10H16ClN5O6P2
Mol. Mass.:
399.664
SMILES:
CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Structure:
Search PDB for entries with ligand similarity: