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GPCR

NameSphingosine 1-phosphate receptor 4
SpeciesMus musculus (Mouse)
GeneS1pr4
SynonymS1P4 receptor
S1P4
S1P receptor Edg-6
S1P receptor 4
Lysophospholipid receptor C1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMNISTWSTLVTPESCHRLAASGHSLLIVLHYNHSGRLASRGGSEDGGGLGMLRGPSVAAGCLVVLENAMVLAAIAIYMRSRRWVYYCLLNITLSDLLTGLAYVVNVLLSGTRTFQLSPVHWFLREGLLFMALAASTFSLLFTAGERFATMVRVAESGATKTSRVYGCIGLCWLLAAILGLLPLLGWNCVCAFPRCSSLLPLYSKGYVLFCVVVFALILVAILSLYGAIFRVVRANGQKSPRPPARRKSRRLLNTVLMILVAFVVCWGPLFGLLLADIFGSNVWAQEYLRGMDWILALAVFNSAINPLIYSFRSREVQRAVLAFLCCGCLWLGLRGPGDCLTRITEAHSGASTTDSSLRPRDSFRTSRSLSFRMREPLSSISSVRST
UniProtQ9Z0L1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHAR278
DrugBankN/A

Ligand

NameFingolimod phosphate
Molecular formulaC19H34NO5P
IUPAC name[2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Molecular weight387.457
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.8
SynonymsFTY720 (R)-Phosphate
FTY720-phosphate
FTY720 phosphate
racFTY720 Phosphate
fingolimod-P
[ Show all ]
Inchi KeyLRFKWQGGENFBFO-UHFFFAOYSA-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)
PubChem CID9908268
ChEMBLCHEMBL114606
IUPHAR2924
BindingDB23163
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5070.7946 nMPMID17898319, PMID11967257IUPHAR

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