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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 | CHEMBL562485 |
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Molecular formula | C26H32N4O8 |
IUPAC name | (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-hydroxyethoxy)-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid |
Molecular weight | 528.562 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 0.9 |
Synonyms | BDBM50298149 (S)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-4-(4-(2-hydroxyethoxy)-6-phenylpicolinamido)-5-oxopentanoic acid (4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-({[4-(2-hydroxyethoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid |
Inchi Key | BETOWLYEFWQDAS-FQEVSTJZSA-N |
Inchi ID | InChI=1S/C26H32N4O8/c1-2-37-26(36)30-12-10-29(11-13-30)25(35)20(8-9-23(32)33)28-24(34)22-17-19(38-15-14-31)16-21(27-22)18-6-4-3-5-7-18/h3-7,16-17,20,31H,2,8-15H2,1H3,(H,28,34)(H,32,33)/t20-/m0/s1 |
PubChem CID | 45267738 |
ChEMBL | CHEMBL562485 |
IUPHAR | N/A |
BindingDB | 50298149 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 7600.0 nM | PMID19604694 | BindingDB,ChEMBL |
Ki | 157.0 nM | PMID20141147, PMID19604694 | BindingDB,ChEMBL |
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