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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 | Ticagrelor |
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Molecular formula | C23H28F2N6O4S |
IUPAC name | (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol |
Molecular weight | 522.572 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 4 |
XlogP | 2.0 |
Synonyms | EUCLID J-016772 RL02931 TICARGRELOR (1S,2S,3R,5S)-3-(7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol [ Show all ] |
Inchi Key | OEKWJQXRCDYSHL-FNOIDJSQSA-N |
Inchi ID | InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1 |
PubChem CID | 9871419 |
ChEMBL | CHEMBL398435 |
IUPHAR | 1765 |
BindingDB | 50397205 |
DrugBank | DB08816 |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
IC50 | 5.0 nM | PMID27133596 | BindingDB |
IC50 | 5.012 nM | PMID27133596 | ChEMBL |
IC50 | 500.0 nM | PMID24332627 | BindingDB,ChEMBL |
KB | 2.57039 nM | PMID25186974 | IUPHAR |
Ki | 1.99 nM | PMID17827008 | IUPHAR |
Ki | 1.995 nM | PMID17827008 | ChEMBL |
Ki | 14.0 nM | PMID22984835 | BindingDB,IUPHAR,ChEMBL |
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