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GPCR

NameP2Y purinoceptor 12
SpeciesHomo sapiens (Human)
GeneP2RY12
SynonymP2Y12 platelet ADP receptor
P2Y12 receptor
P2YADP
purinergic receptor P2Y
P2Y12
[ Show all ]
DiseaseN/A
Length342
Amino acid sequenceMQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProtQ9H244
Protein Data Bank4py0, 4pxz, 4ntj
GPCR-HGmod modelQ9H244
3D structure modelThis structure is from PDB ID 4py0.
BioLiPBL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2001
IUPHAR328
DrugBankBE0000110

Ligand

NameCHEMBL402423
Molecular formulaC26H28N8O4S
IUPAC name1-[9-[(2S,3aR,4R,6R,6aR)-2-[(E)-2-phenylethenyl]-6-[(1,3-thiazol-2-ylmethylamino)methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea
Molecular weight548.622
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.5
SynonymsN/A
Inchi KeyALMCTJZFCSRFGN-KZRVWOTPSA-N
Inchi IDInChI=1S/C26H28N8O4S/c1-2-28-26(35)33-23-20-24(31-14-30-23)34(15-32-20)25-22-21(17(36-25)12-27-13-18-29-10-11-39-18)37-19(38-22)9-8-16-6-4-3-5-7-16/h3-11,14-15,17,19,21-22,25,27H,2,12-13H2,1H3,(H2,28,30,31,33,35)/b9-8+/t17-,19+,21-,22-,25-/m1/s1
PubChem CID44452900
ChEMBLCHEMBL402423
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition73.0 %PMID18276138ChEMBL

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