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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

Name2-thioUTP
Molecular formulaC9H15N2O14P3S
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight500.2
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-5.2
Synonyms[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CHEMBL217803
SCHEMBL624493
BDBM50199176
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
[ Show all ]
Inchi KeyKHYOUGAATNYCAZ-XVFCMESISA-N
Inchi IDInChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
PubChem CID10174453
ChEMBLCHEMBL217803
IUPHAR3398
BindingDB50199176
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
EC50350.0 nMPMID21528910, PMID18514530, PMID17302398BindingDB,ChEMBL
EC501770.0 nMPMID17125260BindingDB,ChEMBL

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