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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesHomo sapiens (Human)
GeneS1PR1
SynonymS1P1
EDG1 (Edg1)
S1P receptor 1
S1P receptor Edg-1
Sphingosine 1-phosphate receptor Edg-1
[ Show all ]
DiseaseRheumatoid arthritis
Psoriasis
Primary progressive multiple sclerosis
Multiple scierosis
Macular degeneration
[ 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

Name(S) FTY720 Phosphate
Molecular formulaC19H34NO5P
IUPAC name[(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
Molecular weight387.457
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.8
Synonyms402616-26-6
(S)-FTY720P
(S)-FTY720-phosphate
FTY720 (S)-Phosphate
UNII-92YDM6122J
[ Show all ]
Inchi KeyLRFKWQGGENFBFO-IBGZPJMESA-N
Inchi IDInChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
PubChem CID11452022
ChEMBLCHEMBL366208
IUPHAR6996
BindingDB23165
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.006 nMPMID25516790ChEMBL
EC500.006 nMPMID25516790BindingDB
EC500.012 nMPMID20188554BindingDB,ChEMBL
EC500.28 nMPMID26924461BindingDB
EC500.28 nMPMID26924461ChEMBL
EC500.3 nMPMID16078855BindingDB
EC500.3 nMPMID16078855, PMID22583616BindingDB,ChEMBL
EC500.37 nMPMID24900318, PMID22405291BindingDB,ChEMBL
EC500.4 nMPMID26687487BindingDB
EC500.4 nMPMID26687487ChEMBL
EC502.02 nMPMID20188554BindingDB,ChEMBL
EC503.981 nMPMID26751273ChEMBL
EC504.0 nMPMID26751273BindingDB
EC507.0 nMPMID24909680ChEMBL
EC507.0 nMPMID24909680BindingDB
EC5019.95 nMPMID26751273, PMID21838322BindingDB,ChEMBL
EC5020.0 nMPMID26751273BindingDB
Emax99.0 %PMID21838322ChEMBL
Emax101.0 %PMID25516790ChEMBL
IC500.28 nMPMID24900286BindingDB,ChEMBL
IC502.1 nMPMID22119341BindingDB,ChEMBL
Ki2.1 nMPMID15598563BindingDB

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