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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 | CHEMBL3325637 |
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Molecular formula | C31H33N7O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 551.651 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50100109 |
Inchi Key | MDGCKRCPNWUDAA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H33N7O3/c1-4-5-29(39)26-17-34-38(22(26)3)24-9-7-23(8-10-24)35-31(41)27-18-37(28-11-6-21(2)16-25(27)28)19-30(40)33-13-15-36-14-12-32-20-36/h6-12,14,16-18,20H,4-5,13,15,19H2,1-3H3,(H,33,40)(H,35,41) |
PubChem CID | 118711075 |
ChEMBL | CHEMBL3325637 |
IUPHAR | N/A |
BindingDB | 50100109 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 61.0 nM | PMID25075638 | BindingDB,ChEMBL |
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