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GPCR

NameSphingosine 1-phosphate receptor 4
SpeciesHomo sapiens (Human)
GeneS1PR4
SynonymS1P4 receptor
S1P4
S1P receptor Edg-6
S1P receptor 4
endothelial differentiation, G protein-coupled receptor 6
[ Show all ]
DiseaseN/A
Length384
Amino acid sequenceMNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
UniProtO95977
Protein Data BankN/A
GPCR-HGmod modelO95977
3D structure modelThis predicted structure model is from GPCR-EXP O95977.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3230
IUPHAR278
DrugBankN/A

Ligand

NameSR-02000000318
Molecular formulaC20H18N4O6
IUPAC name6-methyl-3-[[3-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]phenyl]methoxy]-2-nitropyridine
Molecular weight410.386
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.8
SynonymsZINC7229674
BDBM79477
6-methyl-3-[[3-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]phenyl]methoxy]-2-nitropyridine
cid_16270867
6-methyl-3-[[3-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]phenyl]methoxy]-2-nitro-pyridine
[ Show all ]
Inchi KeyBCCDCMIBOWXCQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N4O6/c1-13-6-8-17(19(21-13)23(25)26)29-11-15-4-3-5-16(10-15)12-30-18-9-7-14(2)22-20(18)24(27)28/h3-10H,11-12H2,1-2H3
PubChem CID16270867
ChEMBLCHEMBL1702380
IUPHARN/A
BindingDB79477
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<50000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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