Reaction Details  Report a problem with these data
Target
P2Y purinoceptor 1
Ligand
BDBM50445221
Substrate
n/a
Meas. Tech.
ChEMBL_1284787 (CHEMBL3107684)
IC50
75±n/a nM
Citation
 Qiao, JX; Wang, TC; Ruel, R; Thibeault, C; L'Heureux, A; Schumacher, WA; Spronk, SA; Hiebert, S; Bouthillier, G; Lloyd, J; Pi, Z; Schnur, DM; Abell, LM; Hua, J; Price, LA; Liu, E; Wu, Q; Steinbacher, TE; Bostwick, JS; Chang, M; Zheng, J; Gao, Q; Ma, B; McDonnell, PA; Huang, CS; Rehfuss, R; Wexler, RR; Lam, PY Conformationally constrained ortho-anilino diaryl ureas: discovery of 1-(2-(1'-neopentylspiro[indoline-3,4'-piperidine]-1-yl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea, a potent, selective, and bioavailable P2Y1 antagonist. J Med Chem 56:9275-95 (2013) [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:
BDBM50445221
Synonyms:
CHEMBL3103624
Type:
Small organic molecule
Emp. Form.:
C22H16F3N3O2
Mol. Mass.:
411.3765
SMILES:
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc1
Structure:
Search PDB for entries with ligand similarity: