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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesMus musculus (Mouse)
GeneS1pr1
SynonymS1P1 receptor
S1P1
S1P receptor Edg-1
S1P receptor 1
Lysophospholipid receptor B1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length382
Amino acid sequenceMVSTSIPEVKALRSSVSDYGNYDIIVRHYNYTGKLNIGAEKDHGIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIVSCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProtO08530
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1914262
IUPHAR275
DrugBankN/A

Ligand

NameCHEMBL3403619
Molecular formulaC26H27F3N2O3
IUPAC name2-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid
Molecular weight472.508
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.1
SynonymsSCHEMBL946655
BDBM50063864
SC-92768
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylam
Inchi KeyISBCPWVJRHMKFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
PubChem CID49839234
ChEMBLCHEMBL3403619
IUPHARN/A
BindingDB50063864
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.05 nMPMID25532755ChEMBL
EC500.05 nMPMID25532755BindingDB
Emax104.0 %PMID25532755ChEMBL

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