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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 | CHEMBL3326905 |
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Molecular formula | C28H30N4O4 |
IUPAC name | 4-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]butanoic acid |
Molecular weight | 486.572 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM50100273 |
Inchi Key | KZZHOROURDEUBF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H30N4O4/c1-4-6-26(33)23-16-29-32(19(23)3)21-11-9-20(10-12-21)30-28(36)24-17-31(14-5-7-27(34)35)25-13-8-18(2)15-22(24)25/h8-13,15-17H,4-7,14H2,1-3H3,(H,30,36)(H,34,35) |
PubChem CID | 118711972 |
ChEMBL | CHEMBL3326905 |
IUPHAR | N/A |
BindingDB | 50100273 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 24.0 nM | PMID25075638 | BindingDB,ChEMBL |
IC50 | 20000.0 nM | PMID25075638 | BindingDB,ChEMBL |
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