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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

NameSMR000033264
Molecular formulaC22H18N4O2
IUPAC nameN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
Molecular weight370.412
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM37084
MLS002589362
ChemDiv2_008502
N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-pyridinecarboxamide
AC1MMSQO
[ Show all ]
Inchi KeyAGHWKNNZUZXNMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18N4O2/c27-22(18-7-4-14-23-15-18)24-19-11-9-17(10-12-19)21-25-20(28-26-21)13-8-16-5-2-1-3-6-16/h1-7,9-12,14-15H,8,13H2,(H,24,27)
PubChem CID3243836
ChEMBLCHEMBL1385355
IUPHARN/A
BindingDB37084
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<30000.0 nMN/ABindingDB
EC503396.0 nMN/ABindingDB
EC503601.0 nMN/ABindingDB

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