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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 | CHEMBL3325658 |
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Molecular formula | C34H42N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 582.749 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM50055664 |
Inchi Key | NWJAOIZKZJJXKV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H42N6O3/c1-5-7-15-37-16-18-38(19-17-37)33(42)23-39-22-30(28-20-24(3)9-14-31(28)39)34(43)36-26-10-12-27(13-11-26)40-25(4)29(21-35-40)32(41)8-6-2/h9-14,20-22H,5-8,15-19,23H2,1-4H3,(H,36,43) |
PubChem CID | 118711096 |
ChEMBL | CHEMBL3325658 |
IUPHAR | N/A |
BindingDB | 50055664 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 121.0 nM | PMID25075638 | BindingDB,ChEMBL |
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