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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

Name(S) FTY720 Phosphate
Molecular formulaC19H34NO5P
IUPAC name[(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Molecular weight387.457
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.8
Synonyms402616-26-6
(S)-FTY720P
(S)-FTY720-phosphate
FTY720 (S)-Phosphate
UNII-92YDM6122J
[ Show all ]
Inchi KeyLRFKWQGGENFBFO-IBGZPJMESA-N
Inchi IDInChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
PubChem CID11452022
ChEMBLCHEMBL366208
IUPHAR6996
BindingDB23165
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.6 nMPMID16078855ChEMBL
EC500.6 nMPMID16078855BindingDB
EC5022.16 nMPMID20188554BindingDB,ChEMBL
EC50199.53 nMPMID21838322ChEMBL
EC50200.0 nMPMID21838322BindingDB
Emax48.0 %PMID21838322ChEMBL
IC502.2 nMPMID22119341BindingDB,ChEMBL
Ki23.0 nMPMID15598563BindingDB

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