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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

NameCHEMBL589403
Molecular formulaC19H22N2
IUPAC name(2S,4R)-3,3,9-trimethyl-7-[(E)-3-phenylprop-2-enyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
Molecular weight278.399
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50305383
(3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
Inchi KeyFSOFHLFLALDBIC-VMMSNCAXSA-N
Inchi IDInChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1
PubChem CID46225233
ChEMBLCHEMBL589403
IUPHARN/A
BindingDB50305383
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID19954976BindingDB,ChEMBL
Emax10.0 %PMID19954976ChEMBL

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