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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

NameMLS000077136
Molecular formulaC12H11N3O6
IUPAC name(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
Molecular weight293.235
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP-0.1
Synonyms5-(acetylamino)-2,1,3-benzoxadiazole-4,7-diyl diacetate
Acetic acid 7-acetoxy-5-acetylamino-benzo[1,2,5]oxadiazol-4-yl ester
HMS1675E08
Oprea1_857504
6-(acetylamino)-7-acetyloxybenzo[2,3-c]1,2,5-oxadiazol-4-yl acetate
[ Show all ]
Inchi KeyAABQOSHDRSWHSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16)
PubChem CID597363
ChEMBLCHEMBL1440703
IUPHARN/A
BindingDB31042
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC505709.0 nMN/ABindingDB
EC506210.0 nMN/ABindingDB
EC507525.0 nMN/ABindingDB

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