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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

NameCHEMBL603442
Molecular formulaC25H24N2O
IUPAC name(E)-3-(4-phenylphenyl)-1-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]prop-2-en-1-one
Molecular weight368.48
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50305387
3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone
Inchi KeyFZOFYAKHPAXACJ-NQBQSDHDSA-N
Inchi IDInChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
PubChem CID46225284
ChEMBLCHEMBL603442
IUPHARN/A
BindingDB50305387
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID19954976BindingDB,ChEMBL
Emax22.0 %PMID19954976ChEMBL

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