Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50306996
Substrate
n/a
Meas. Tech.
ChEMBL_609034 (CHEMBL1064501)
Ki
0.79±n/a nM
Citation
 Parlow, JJ; Burney, MW; Case, BL; Girard, TJ; Hall, KA; Harris, PK; Hiebsch, RR; Huff, RM; Lachance, RM; Mischke, DA; Rapp, SR; Woerndle, RS; Ennis, MD Part II: piperazinyl-glutamate-pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation. Bioorg Med Chem Lett 20:1388-94 (2010) [PubMed]  Article 
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:
BDBM50306996
Synonyms:
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(4-(4-((2-oxopyrrolidin-1-yl)methyl)piperidin-1-yl)-6-phenylpicolinamido)pentanoic acid | CHEMBL601695
Type:
Small organic molecule
Emp. Form.:
C36H48N6O7
Mol. Mass.:
676.8023
SMILES:
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1 |r|
Structure:
Search PDB for entries with ligand similarity: