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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

NameCHEMBL3921525
Molecular formulaC25H33F3N6O
IUPAC name3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N,N-dimethyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
Molecular weight490.575
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
Synonyms3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-2-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide
US9181249, 72
BDBM190959
BJKRRQIZQPWPHY-UHFFFAOYSA-N
SCHEMBL16818279
Inchi KeyBJKRRQIZQPWPHY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33F3N6O/c1-15(2)29-23-24(31-21-14-34(25(35)32(3)4)12-9-20(21)30-23)33-10-7-16(8-11-33)22(28)18-6-5-17(26)13-19(18)27/h5-6,13,15-16,22H,7-12,14H2,1-4H3,(H,29,30)
PubChem CID118159294
ChEMBLCHEMBL3921525
IUPHARN/A
BindingDB190959
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0237 nM, NoneBindingDB,ChEMBL
IC5023700.0 nMN/ABindingDB

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