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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

NameCHEMBL3950698
Molecular formulaC26H31FN6O2
IUPAC name4-[1-[6-(cyclopropanecarbonyl)-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile
Molecular weight478.572
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.3
SynonymsAUPDVTRYLMDISN-UHFFFAOYSA-N
BDBM190909
SCHEMBL16818287
4-((1-(6-(cyclopropanecarbonyl)-2-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile
US9181249, 20
Inchi KeyAUPDVTRYLMDISN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31FN6O2/c1-16(2)29-24-25(31-22-15-33(12-9-21(22)30-24)26(34)18-4-5-18)32-10-7-19(8-11-32)35-23-6-3-17(14-28)13-20(23)27/h3,6,13,16,18-19H,4-5,7-12,15H2,1-2H3,(H,29,30)
PubChem CID118159302
ChEMBLCHEMBL3950698
IUPHARN/A
BindingDB190909
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.122 nM, NoneBindingDB,ChEMBL
IC50122000.0 nMN/ABindingDB

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