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GPCR

NameP2Y purinoceptor 14
SpeciesHomo sapiens (Human)
GeneP2RY14
SynonymG-protein coupled receptor 105
GPR105
G protein-coupled receptor 105
P2Y purinoceptor 14
P2Y14
[ Show all ]
DiseaseN/A
Length338
Amino acid sequenceMINSTSTQPPDESCSQNLLITQQIIPVLYCMVFIAGILLNGVSGWIFFYVPSSKSFIIYLKNIVIADFVMSLTFPFKILGDSGLGPWQLNVFVCRVSAVLFYVNMYVSIVFFGLISFDRYYKIVKPLWTSFIQSVSYSKLLSVIVWMLMLLLAVPNIILTNQSVREVTQIKCIELKSELGRKWHKASNYIFVAIFWIVFLLLIVFYTAITKKIFKSHLKSSRNSTSVKKKSSRNIFSIVFVFFVCFVPYHIARIPYTKSQTEAHYSCQSKEILRYMKEFTLLLSAANVCLDPIIYFFLCQPFREILCKKLHIPLKAQNDLDISRIKRGNTTLESTDTL
UniProtQ15391
Protein Data BankN/A
GPCR-HGmod modelQ15391
3D structure modelThis predicted structure model is from GPCR-EXP Q15391.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4518
IUPHAR330
DrugBankN/A

Ligand

NameCHEMBL226713
Molecular formulaC15H24N2O17P2
IUPAC name[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl hydrogen phosphate
Molecular weight566.302
Hydrogen bond acceptor17
Hydrogen bond donor9
XlogP-6.9
SynonymsBDBM50209661
[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy})phosphinic acid
Inchi KeyHIDNNWOFQMQOHD-HWEKWTFHSA-N
Inchi IDInChI=1S/C15H24N2O17P2/c18-3-6-10(21)12(23)15(25,33-6)5-31-36(28,29)34-35(26,27)30-4-7-9(20)11(22)13(32-7)17-2-1-8(19)16-14(17)24/h1-2,6-7,9-13,18,20-23,25H,3-5H2,(H,26,27)(H,28,29)(H,16,19,24)/t6-,7-,9-,10-,11-,12+,13-,15-/m1/s1
PubChem CID16220801
ChEMBLCHEMBL226713
IUPHARN/A
BindingDB50209661
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50880.0 nMPMID17407275, PMID19502066BindingDB,ChEMBL

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