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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesHomo sapiens (Human)
GeneS1PR1
SynonymSphingosine 1-phosphate receptor Edg-1
S1P1 receptor
S1P1
S1P receptor Edg-1
S1P receptor 1
[ Show all ]
DiseaseImmune disorder
Macular degeneration
Hepatocellular carcinoma; Multiple scierosis
Multiple scierosis
Primary progressive multiple sclerosis
[ Show all ]
Length382
Amino acid sequenceMGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProtP21453
Protein Data Bank3v2w
GPCR-HGmod modelP21453
3D structure modelThis structure is from PDB ID 3v2w.
BioLiPBL0214678
Therapeutic Target DatabaseT13852
ChEMBLCHEMBL4333
IUPHAR275
DrugBankN/A

Ligand

NameBDBM65291
Molecular formulaC25H33FNO5P
IUPAC name[(1S,3R)-1-amino-3-[(6R)-6-[2-(2-fluoro-6-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight477.513
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.4
SynonymsUS9522888, 607
Inchi KeyAAQPHAKRTFSDKT-ZIYZLLSTSA-N
Inchi IDInChI=1S/C25H33FNO5P/c1-31-24-4-2-3-23(26)22(24)10-6-17-5-7-19-14-20(9-8-18(19)13-17)21-11-12-25(27,15-21)16-32-33(28,29)30/h2-4,8-9,14,17,21H,5-7,10-13,15-16,27H2,1H3,(H2,28,29,30)/t17-,21-,25+/m1/s1
PubChem CID131953739
ChEMBLN/A
IUPHARN/A
BindingDB65291
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5055.0 nMN/ABindingDB
EC50550.0 nMN/ABindingDB
IC50550.0 nMN/ABindingDB

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