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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 | CHEMBL3325806 |
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Molecular formula | C29H31ClN6O3 |
IUPAC name | 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-(5-methyl-4-propanoylpyrazol-1-yl)phenyl]indole-3-carboxamide |
Molecular weight | 547.056 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50100190 |
Inchi Key | ORKAQHAYFDUVRI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H31ClN6O3/c1-4-27(37)24-16-31-36(19(24)2)22-8-6-21(7-9-22)32-29(39)25-17-35(26-10-5-20(30)15-23(25)26)18-28(38)34-13-11-33(3)12-14-34/h5-10,15-17H,4,11-14,18H2,1-3H3,(H,32,39) |
PubChem CID | 118711192 |
ChEMBL | CHEMBL3325806 |
IUPHAR | N/A |
BindingDB | 50100190 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 336.0 nM | PMID25075638 | BindingDB,ChEMBL |
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