Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50302697
Substrate
n/a
Meas. Tech.
ChEMBL_595036 (CHEMBL1042521)
Ki
0.38±n/a nM
Citation
 Parlow, JJ; Burney, MW; Case, BL; Girard, TJ; Hall, KA; Hiebsch, RR; Huff, RM; Lachance, RM; Mischke, DA; Rapp, SR; Woerndle, RS; Ennis, MD Piperazinyl-glutamate-pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation. Bioorg Med Chem Lett 19:6148-56 (2009) [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:
BDBM50302697
Synonyms:
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(ethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid | (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(ethylcarbamoyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid | CHEMBL570295
Type:
Small organic molecule
Emp. Form.:
C34H46N6O7
Mol. Mass.:
650.765
SMILES:
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC |r|
Structure:
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