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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

NameCHEMBL1765117
Molecular formulaC10H15F2N2O14P3
IUPAC name[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
Molecular weight518.148
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-5.2
SynonymsBDBM50341899
Uridine 5'-[difluoro[beta,gamma-methylene]triphosphoric acid]
(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)difluoromethylphosphonic acid
Inchi KeyGMYHHUUHBVBEKO-XVFCMESISA-N
Inchi IDInChI=1S/C10H15F2N2O14P3/c11-10(12,29(19,20)21)30(22,23)28-31(24,25)26-3-4-6(16)7(17)8(27-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
PubChem CID11606036
ChEMBLCHEMBL1765117
IUPHARN/A
BindingDB50341899
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
EC50<100000.0 nMPMID21417463BindingDB,ChEMBL

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