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Target
P2X purinoceptor 1
Ligand
BDBM50445214
Substrate
n/a
Meas. Tech.
ChEMBL_1284760 (CHEMBL3107657)
IC50
1600±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:
P2X purinoceptor 1
Synonyms:
ATP receptor | P2RX1 | P2RX1_HUMAN | P2X1 | Purinergic receptor | Purinergic, P2X
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44992.65
Organism:
Homo sapiens (Human)
Description:
Purinergic, P2X 0 HUMAN::P51575
Residue:
399
Sequence:
MARRFQEELAAFLFEYDTPRMVLVRNKKVGVIFRLIQLVVLVYVIGWVFLYEKGYQTSSGLISSVSVKLKGLAVTQLPGLGPQVWDVADYVFPAQGDNSFVVMTNFIVTPKQTQGYCAEHPEGGICKEDSGCTPGKAKRKAQGIRTGKCVAFNDTVKTCEIFGWCPVEVDDDIPRPALLREAENFTLFIKNSISFPRFKVNRRNLVEEVNAAHMKTCLFHKTLHPLCPVFQLGYVVQESGQNFSTLAEKGGVVGITIDWHCDLDWHVRHCRPIYEFHGLYEEKNLSPGFNFRFARHFVENGTNYRHLFKVFGIRFDILVDGKAGKFDIIPTMTTIGSGIGIFGVATVLCDLLLLHILPKRHYYKQKKFKYAEDMGPGAAERDLAATSSTLGLQENMRTS
  
Inhibitor
Name:
BDBM50445214
Synonyms:
CHEMBL3104636
Type:
Small organic molecule
Emp. Form.:
C31H35F3N4O2
Mol. Mass.:
552.6304
SMILES:
CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Structure:
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