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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

NameCHEMBL3401388
Molecular formulaC29H34FN3O4
IUPAC name4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-pyridin-4-yloxyphenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight507.606
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50065616
Inchi KeyBGDQNJZBOQYYEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34FN3O4/c1-3-21(4-2)20-29(35)11-15-33(16-12-29)28(34)32-23-17-26(36-24-7-5-22(30)6-8-24)19-27(18-23)37-25-9-13-31-14-10-25/h5-10,13-14,17-19,21,35H,3-4,11-12,15-16,20H2,1-2H3,(H,32,34)
PubChem CID118728432
ChEMBLCHEMBL3401388
IUPHARN/A
BindingDB50065616
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID25746814BindingDB,ChEMBL

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