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Name | P2Y purinoceptor 12 |
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Species | Rattus norvegicus (Rat) |
Gene | P2ry12 |
Synonym | purinergic receptor P2Y P2YADP P2Y12 receptor P2Y12 platelet ADP receptor P2Y12 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 343 |
Amino acid sequence | MEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM |
UniProt | Q9EPX4 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2188 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3325808 |
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Molecular formula | C30H30ClF3N6O3 |
IUPAC name | 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-[5-methyl-4-(4,4,4-trifluorobutanoyl)pyrazol-1-yl]phenyl]indole-3-carboxamide |
Molecular weight | 615.054 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50100189 |
Inchi Key | VPAGCBLLJMPOTC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H30ClF3N6O3/c1-19-24(27(41)9-10-30(32,33)34)16-35-40(19)22-6-4-21(5-7-22)36-29(43)25-17-39(26-8-3-20(31)15-23(25)26)18-28(42)38-13-11-37(2)12-14-38/h3-8,15-17H,9-14,18H2,1-2H3,(H,36,43) |
PubChem CID | 118711194 |
ChEMBL | CHEMBL3325808 |
IUPHAR | N/A |
BindingDB | 50100189 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 8000.0 nM | PMID25075638 | BindingDB,ChEMBL |
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