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Name | P2Y purinoceptor 12 |
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Species | Homo sapiens (Human) |
Gene | P2RY12 |
Synonym | P2Y12 platelet ADP receptor P2Y12 receptor P2YADP purinergic receptor P2Y P2Y12 [ Show all ] |
Disease | N/A |
Length | 342 |
Amino acid sequence | MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM |
UniProt | Q9H244 |
Protein Data Bank | 4py0, 4pxz, 4ntj |
GPCR-HGmod model | Q9H244 |
3D structure model | This structure is from PDB ID 4py0. |
BioLiP | BL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2001 |
IUPHAR | 328 |
DrugBank | BE0000110 |
Name | CHEMBL3325657 |
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Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50055658 |
Inchi Key | QHXPIGIAJMEOJE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-5-7-30(39)27-19-33-38(23(27)4)25-11-9-24(10-12-25)34-32(41)28-20-37(29-13-8-22(3)18-26(28)29)21-31(40)36-16-14-35(6-2)15-17-36/h8-13,18-20H,5-7,14-17,21H2,1-4H3,(H,34,41) |
PubChem CID | 118711095 |
ChEMBL | CHEMBL3325657 |
IUPHAR | N/A |
BindingDB | 50055658 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 66.0 nM | PMID25075638 | BindingDB,ChEMBL |
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