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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 | CHEMBL1162181 |
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Molecular formula | C34H40N6O25P4 |
IUPAC name | [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[[[[(2S,3S,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-[2-(methylamino)benzoyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] 2-(methylamino)benzoate |
Molecular weight | 1056.61 |
Hydrogen bond acceptor | 27 |
Hydrogen bond donor | 10 |
XlogP | -3.6 |
Synonyms | BDBM50371571 |
Inchi Key | FVKWBYGJUWZEJD-QGFWSTCBSA-N |
Inchi ID | InChI=1S/C34H40N6O25P4/c1-35-19-9-5-3-7-17(19)31(45)61-27-22(60-29(26(27)44)39-13-11-23(41)37-33(39)47)16-58-67(51,52)64-69(55,56)65-68(53,54)63-66(49,50)57-15-21-25(43)28(30(59-21)40-14-12-24(42)38-34(40)48)62-32(46)18-8-4-6-10-20(18)36-2/h3-14,21-22,25-30,35-36,43-44H,15-16H2,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,41,47)(H,38,42,48)/t21-,22+,25-,26+,27+,28-,29+,30-/m0/s1 |
PubChem CID | 44457338 |
ChEMBL | CHEMBL1162181 |
IUPHAR | N/A |
BindingDB | 50371571 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
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IC50 | 7590.0 nM | PMID18232657 | BindingDB,ChEMBL |
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