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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

NameMLS000035729
Molecular formulaC20H22FNO3
IUPAC name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one
Molecular weight343.398
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
Synonyms1-(3-Fluoro-4-methoxy-phenyl)-3-morpholin-4-yl-2-phenyl-propan-1-one
AC1LDIIN
Oprea1_131407
1-(3-fluoro-4-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-one
CHEMBL1622481
[ Show all ]
Inchi KeyAINAOBMDRLIACD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22FNO3/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22/h2-8,13,17H,9-12,14H2,1H3
PubChem CID648630
ChEMBLN/A
IUPHARN/A
BindingDB36844
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC508060.0 nMN/ABindingDB
EC5022520.0 nMN/ABindingDB
EC5031150.0 nMN/ABindingDB

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