Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50118242
Substrate
n/a
Meas. Tech.
ChEMBL_2193043 (CHEMBL5105403)
Ki
32±n/a nM
Citation
 Ma, BB; Montgomery, AP; Chen, B; Kassiou, M; Danon, JJ Strategies for targeting the P2Y Bioorg Med Chem Lett 71:0 (2022) [PubMed] 
Target
Name:
P2Y purinoceptor 12
Synonyms:
ADP-glucose receptor | ADPG-R | HORK3 | P2RY12 | P2T(AC) | P2Y purinoceptor 12 | P2Y(AC) | P2Y(ADP) | P2Y(cyc) | P2Y12 | P2Y12 platelet ADP receptor | P2Y12_HUMAN | Purinergic receptor P2Y12 | SP1999
Type:
Enzyme
Mol. Mass.:
39458.48
Organism:
Homo sapiens (Human)
Description:
Q9H244
Residue:
342
Sequence:
MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
  
Inhibitor
Name:
BDBM50118242
Synonyms:
((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate | ((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate | 2-MeS-ADP | 2-MeSADP | CHEMBL435402 | [({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C11H17N5O10P2S
Mol. Mass.:
473.293
SMILES:
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Structure:
Search PDB for entries with ligand similarity: