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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

NameMLS000761483
Molecular formulaC20H19ClN2O
IUPAC name7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
Molecular weight338.835
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
Synonyms7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
CHEMBL1585527
Oprea1_813706
AC1NPY8G
KSC-335-034
[ Show all ]
Inchi KeyAATWULBPEFPAGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClN2O/c21-17-8-2-1-7-15(17)19(23-12-3-4-13-23)16-10-9-14-6-5-11-22-18(14)20(16)24/h1-2,5-11,19,24H,3-4,12-13H2
PubChem CID5187118
ChEMBLCHEMBL1585527
IUPHARN/A
BindingDB64703
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505926.0 nMPubChem BioAssay data setChEMBL

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