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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 | CHEMBL549594 |
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Molecular formula | C30H32N4O6 |
IUPAC name | (4S)-4-[(2,6-diphenylpyridine-4-carbonyl)amino]-5-oxo-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid |
Molecular weight | 544.608 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 1.0 |
Synonyms | BDBM50298121 (S)-4-(2,6-diphenylisonicotinamido)-5-oxo-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid |
Inchi Key | AVUMANAEMIGQIO-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C30H32N4O6/c1-2-28(37)40-34-17-15-33(16-18-34)30(39)24(13-14-27(35)36)32-29(38)23-19-25(21-9-5-3-6-10-21)31-26(20-23)22-11-7-4-8-12-22/h3-12,19-20,24H,2,13-18H2,1H3,(H,32,38)(H,35,36)/t24-/m0/s1 |
PubChem CID | 45270266 |
ChEMBL | CHEMBL549594 |
IUPHAR | N/A |
BindingDB | 50298121 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <50000.0 nM | PMID19604694 | BindingDB,ChEMBL |
Ki | 484.0 nM | PMID19604694 | BindingDB,ChEMBL |
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