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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

NameCHEMBL3098250
Molecular formulaC24H29F3N6O4S
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-fluoro-3-hydroxypropoxy)cyclopentane-1,2-diol
Molecular weight554.589
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP2.4
SynonymsBDBM50445013
Inchi KeyHHSABBPRSZCGQD-HRXYOTLZSA-N
Inchi IDInChI=1S/C24H29F3N6O4S/c1-2-5-38-24-29-22(28-16-7-13(16)11-3-4-14(26)15(27)6-11)19-23(30-24)33(32-31-19)17-8-18(21(36)20(17)35)37-10-12(25)9-34/h3-4,6,12-13,16-18,20-21,34-36H,2,5,7-10H2,1H3,(H,28,29,30)/t12?,13-,16+,17+,18-,20-,21+/m0/s1
PubChem CID71607665
ChEMBLCHEMBL3098250
IUPHARN/A
BindingDB50445013
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50410.0 nMPMID24332627BindingDB,ChEMBL

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