Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50500438
Substrate
n/a
Meas. Tech.
ChEMBL_1547015 (CHEMBL3748118)
IC50
1400±n/a nM
Citation
 Yanachkov, IB; Chang, H; Yanachkova, MI; Dix, EJ; Berny-Lang, MA; Gremmel, T; Michelson, AD; Wright, GE; Frelinger, AL New highly active antiplatelet agents with dual specificity for platelet P2Y1 and P2Y12 adenosine diphosphate receptors. Eur J Med Chem 107:204-18 (2016) [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:
BDBM50500438
Synonyms:
CHEMBL3745979
Type:
Small organic molecule
Emp. Form.:
C22H28N10Na4O19P4S2
Mol. Mass.:
1016.497
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Structure:
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