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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

NameCHEMBL3943478
Molecular formulaC25H32FN5O3
IUPAC name1-[3-(cyclobutylamino)-2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight469.561
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM190981
FWBUWGUMMSYEGD-UHFFFAOYSA-N
1-(3-(cyclobutylamino)-2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone
SCHEMBL16818367
US9181249, 94
Inchi KeyFWBUWGUMMSYEGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32FN5O3/c1-16(32)31-13-10-21-22(15-31)28-24(27-17-4-3-5-17)25(29-21)30-11-8-18(9-12-30)34-23-7-6-19(33-2)14-20(23)26/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,27,28)
PubChem CID118159377
ChEMBLCHEMBL3943478
IUPHARN/A
BindingDB190981
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0199 nM, NoneBindingDB,ChEMBL
IC5019900.0 nMN/ABindingDB

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