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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

NameCHEMBL115505
Molecular formulaC17H37N2O6P
IUPAC name[(2S)-2-amino-3-oxo-3-(tetradecoxyamino)propyl] dihydrogen phosphate
Molecular weight396.465
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.3
SynonymsCHEMBL1180159
BDBM50133420
Phosphoric acid mono-((S)-2-amino-2-tetradecyloxycarbamoyl-ethyl) ester; TFA
Inchi KeyDBSAALJIWXWPJI-INIZCTEOSA-N
Inchi IDInChI=1S/C17H37N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-19-17(20)16(18)15-25-26(21,22)23/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
PubChem CID44342246
ChEMBLN/A
IUPHARN/A
BindingDB50133420
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<5000.0 nMPMID14505636BindingDB

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