You can:
Name | P2Y purinoceptor 12 |
---|---|
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 | CHEMBL3325636 |
---|---|
Molecular formula | C33H40N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 568.722 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | BDBM50100114 |
Inchi Key | BADWODUALRLBJL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H40N6O3/c1-5-8-31(40)28-20-34-39(24(28)3)26-12-10-25(11-13-26)35-33(42)29-21-38(30-14-9-23(2)19-27(29)30)22-32(41)36(4)17-18-37-15-6-7-16-37/h9-14,19-21H,5-8,15-18,22H2,1-4H3,(H,35,42) |
PubChem CID | 118711074 |
ChEMBL | CHEMBL3325636 |
IUPHAR | N/A |
BindingDB | 50100114 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 124.0 nM | PMID25075638 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417