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GPCR

NameP2Y purinoceptor 12
SpeciesRattus norvegicus (Rat)
GeneP2ry12
Synonympurinergic receptor P2Y
P2YADP
P2Y12 receptor
P2Y12 platelet ADP receptor
P2Y12
[ Show all ]
DiseaseN/A for non-human GPCRs
Length343
Amino acid sequenceMEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM
UniProtQ9EPX4
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2188
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3098247
Molecular formulaC21H23F3N6O2S
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-fluorocyclopentane-1,2-diol
Molecular weight480.51
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50445015
Inchi KeyPYVGFJFYDCNFII-FJPIFFLYSA-N
Inchi IDInChI=1S/C21H23F3N6O2S/c1-2-5-33-21-26-19(25-14-7-10(14)9-3-4-11(22)12(23)6-9)16-20(27-21)30(29-28-16)15-8-13(24)17(31)18(15)32/h3-4,6,10,13-15,17-18,31-32H,2,5,7-8H2,1H3,(H,25,26,27)/t10-,13-,14+,15+,17+,18-/m0/s1
PubChem CID71607689
ChEMBLCHEMBL3098247
IUPHARN/A
BindingDB50445015
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
IC50110.0 nMPMID24332627BindingDB,ChEMBL

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