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GPCR

NameG-protein coupled receptor 6
SpeciesHomo sapiens (Human)
GeneGPR6
SynonymGPR6
Sphingosine 1-phosphate receptor GPR6
DiseaseN/A
Length362
Amino acid sequenceMNASAASLNDSQVVVVAAEGAAAAATAAGGPDTGEWGPPAAAALGAGGGANGSLELSSQLSAGPPGLLLPAVNPWDVLLCVSGTVIAGENALVVALIASTPALRTPMFVLVGSLATADLLAGCGLILHFVFQYLVPSETVSLLTVGFLVASFAASVSSLLAITVDRYLSLYNALTYYSRRTLLGVHLLLAATWTVSLGLGLLPVLGWNCLAERAACSVVRPLARSHVALLSAAFFMVFGIMLHLYVRICQVVWRHAHQIALQQHCLAPPHLAATRKGVGTLAVVLGTFGASWLPFAIYCVVGSHEDPAVYTYATLLPATYNSMINPIIYAFRNQEIQRALWLLLCGCFQSKVPFRSRSPSEV
UniProtP46095
Protein Data BankN/A
GPCR-HGmod modelP46095
3D structure modelThis predicted structure model is from GPCR-EXP P46095.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3714130
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3902181
Molecular formulaC23H32FN5O2
IUPAC name2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
Molecular weight429.54
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsDFMRQAQETRMYOT-UHFFFAOYSA-N
SCHEMBL16818131
2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-N-isopropyl-6-methyl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
US9181249, 74
BDBM190961
Inchi KeyDFMRQAQETRMYOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32FN5O2/c1-15(2)25-22-23(27-19-9-10-28(3)14-20(19)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26)
PubChem CID118159150
ChEMBLCHEMBL3902181
IUPHARN/A
BindingDB190961
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.1402 nM, NoneBindingDB,ChEMBL
IC50140200.0 nMN/ABindingDB

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