Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50307011
Substrate
n/a
Meas. Tech.
ChEMBL_612285 (CHEMBL1064897)
Ki
4±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 Piperazinyl glutamate pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation. J Med Chem 53:2010-37 (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:
BDBM50307011
Synonyms:
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4-[(methylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid | (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-((methylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid | CHEMBL589518
Type:
Small organic molecule
Emp. Form.:
C33H46N6O6
Mol. Mass.:
622.7549
SMILES:
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r|
Structure:
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