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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

NameCHEMBL402633
Molecular formulaC24H28N6O5S
IUPAC name1-[9-[(2S,3aR,4R,6S,6aS)-6-(2-hydroxyethylsulfanylmethyl)-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea
Molecular weight512.585
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.4
SynonymsN/A
Inchi KeyAAVKOFURAFBOGG-IQNOQAOZSA-N
Inchi IDInChI=1S/C24H28N6O5S/c1-2-25-24(32)29-21-18-22(27-13-26-21)30(14-28-18)23-20-19(16(33-23)12-36-11-10-31)34-17(35-20)9-8-15-6-4-3-5-7-15/h3-9,13-14,16-17,19-20,23,31H,2,10-12H2,1H3,(H2,25,26,27,29,32)/b9-8+/t16-,17+,19-,20-,23-/m1/s1
PubChem CID44453031
ChEMBLCHEMBL402633
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition63.0 %PMID18276138ChEMBL

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