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GPCR

NameSphingosine 1-phosphate receptor 5
SpeciesHomo sapiens (Human)
GeneS1PR5
SynonymSphingosine 1-phosphate receptor Edg-8
S1P5
S1P receptor Edg-8
S1P5 receptor
S1P receptor 5
[ Show all ]
DiseaseMultiple scierosis
Length398
Amino acid sequenceMESGLLRPAPVSEVIVLHYNYTGKLRGARYQPGAGLRADAVVCLAVCAFIVLENLAVLLVLGRHPRFHAPMFLLLGSLTLSDLLAGAAYAANILLSGPLTLKLSPALWFAREGGVFVALTASVLSLLAIALERSLTMARRGPAPVSSRGRTLAMAAAAWGVSLLLGLLPALGWNCLGRLDACSTVLPLYAKAYVLFCVLAFVGILAAICALYARIYCQVRANARRLPARPGTAGTTSTRARRKPRSLALLRTLSVVLLAFVACWGPLFLLLLLDVACPARTCPVLLQADPFLGLAMANSLLNPIIYTLTNRDLRHALLRLVCCGRHSCGRDPSGSQQSASAAEASGGLRRCLPPGLDGSFSGSERSSPQRDGLDTSGSTGSPGAPTAARTLVSEPAAD
UniProtQ9H228
Protein Data BankN/A
GPCR-HGmod modelQ9H228
3D structure modelThis predicted structure model is from GPCR-EXP Q9H228.
BioLiPN/A
Therapeutic Target DatabaseT50089
ChEMBLCHEMBL2274
IUPHAR279
DrugBankBE0002432

Ligand

NameCHEMBL194898
Molecular formulaC23H23N3O3
IUPAC name1-[[4-[5-(4-cyclobutylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight389.455
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.8
Synonyms1-({4-[5-(4-cyclobutylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
1,2,4-oxadiazole based compound, 31
BDBM22214
Inchi KeyDMOOKXPSMLPOGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N3O3/c27-23(28)20-13-26(14-20)12-15-4-6-18(7-5-15)21-24-22(29-25-21)19-10-8-17(9-11-19)16-2-1-3-16/h4-11,16,20H,1-3,12-14H2,(H,27,28)
PubChem CID11653967
ChEMBLCHEMBL194898
IUPHARN/A
BindingDB22214
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nMPMID16190743ChEMBL
IC504.0 nMPMID16190743BindingDB

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