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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

NameSphingosine 1-phosphate
Molecular formulaC18H38NO5P
IUPAC name[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Molecular weight379.478
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.9
Synonymssphingosine-1-phosphate
26993-30-6
D-erythro-Sphingosine-1-phosphate
C18-Sphingosine 1-phosphate
Sphing-4-enine 1-phosphate
[ Show all ]
Inchi KeyDUYSYHSSBDVJSM-KRWOKUGFSA-N
Inchi IDInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
PubChem CID5283560
ChEMBLCHEMBL225155
IUPHAR911
BindingDB50158348
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.2 nMPMID20446681ChEMBL
EC500.2 nMPMID20446681BindingDB
EC500.91 nMPMID17070046BindingDB,ChEMBL
EC501.25893 - 39.8107 nMPMID11705398, PMID17114004, PMID11967257, PMID14732717IUPHAR
EC501.7 nMPMID15341948BindingDB,ChEMBL
EC501.8 nMPMID24900589ChEMBL
EC509.2 nMPMID15982878, PMID14505636BindingDB
EC509.2 nMPMID15982878, PMID14505636ChEMBL
EC5043.9 nMPMID14505636ChEMBL
EC5044.0 nMPMID14505636BindingDB
EC50121.0 nMPMID20446681BindingDB,ChEMBL
Emax1.0 -PMID15982878ChEMBL
IC500.55 nMPMID15615513BindingDB,ChEMBL
IC501.1 nMPMID19081720BindingDB,ChEMBL
IC502.0 nMPMID20304639ChEMBL

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