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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

NameCHEMBL3931736
Molecular formulaC22H25F4N5O2
IUPAC name1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight467.469
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM190978
GKYXBAFONJCMAT-UHFFFAOYSA-N
1-(2-((2,2-difluoroethyl)amino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone
SCHEMBL16818384
US9181249, 91
Inchi KeyGKYXBAFONJCMAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25F4N5O2/c1-13(32)31-9-6-17-18(12-31)29-22(21(28-17)27-11-20(25)26)30-7-4-15(5-8-30)33-19-3-2-14(23)10-16(19)24/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,27,28)
PubChem CID118159394
ChEMBLCHEMBL3931736
IUPHARN/A
BindingDB190978
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0115 nM, NoneBindingDB,ChEMBL
IC5011500.0 nMN/ABindingDB

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