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GPCR

NameP2Y purinoceptor 4
SpeciesHomo sapiens (Human)
GeneP2RY4
SynonymUNR
pyrimidinoceptor
pyrimidinergic receptor P2Y
P2Y4R
P2Y4 receptor
[ Show all ]
DiseaseN/A
Length365
Amino acid sequenceMASTESSLLRSLGLSPGPGSSEVELDCWFDEDFKFILLPVSYAVVFVLGLGLNAPTLWLFIFRLRPWDATATYMFHLALSDTLYVLSLPTLIYYYAAHNHWPFGTEICKFVRFLFYWNLYCSVLFLTCISVHRYLGICHPLRALRWGRPRLAGLLCLAVWLVVAGCLVPNLFFVTTSNKGTTVLCHDTTRPEEFDHYVHFSSAVMGLLFGVPCLVTLVCYGLMARRLYQPLPGSAQSSSRLRSLRTIAVVLTVFAVCFVPFHITRTIYYLARLLEADCRVLNIVNVVYKVTRPLASANSCLDPVLYLLTGDKYRRQLRQLCGGGKPQPRTAASSLALVSLPEDSSCRWAATPQDSSCSTPRADRL
UniProtP51582
Protein Data BankN/A
GPCR-HGmod modelP51582
3D structure modelThis predicted structure model is from GPCR-EXP P51582.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2123
IUPHAR325
DrugBankN/A

Ligand

NameCHEMBL468354
Molecular formulaC16H25N4O10P
IUPAC name(2S,3S,4R,5R)-N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight464.368
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-2.9
SynonymsSCHEMBL13210978
2-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido]ethylamidomethylphosphonic acid diethyl ester
BDBM50262252
Inchi KeyLDQSHNXCUDCWBF-SFDCQRBFSA-N
Inchi IDInChI=1S/C16H25N4O10P/c1-3-28-31(27,29-4-2)8-18-10(22)7-17-14(25)13-11(23)12(24)15(30-13)20-6-5-9(21)19-16(20)26/h5-6,11-13,15,23-24H,3-4,7-8H2,1-2H3,(H,17,25)(H,18,22)(H,19,21,26)/t11-,12+,13-,15+/m0/s1
PubChem CID24949082
ChEMBLCHEMBL468354
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity46.0 %PMID18630897ChEMBL
Inhibition38.0 %PMID18630897ChEMBL

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