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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

NameCHEMBL3958294
Molecular formulaC21H34N6O3
IUPAC nametert-butyl 4-[6-acetyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxylate
Molecular weight418.542
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.4
SynonymsCJEZYFCOYOMTCD-UHFFFAOYSA-N
US9181249, 138
SCHEMBL16818256
tert-butyl 4-(6-acetyl-3-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-yl)piperazine-1-carboxylate
BDBM191026
Inchi KeyCJEZYFCOYOMTCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H34N6O3/c1-14(2)22-18-19(24-16-7-8-27(15(3)28)13-17(16)23-18)25-9-11-26(12-10-25)20(29)30-21(4,5)6/h14H,7-13H2,1-6H3,(H,22,23)
PubChem CID118159271
ChEMBLCHEMBL3958294
IUPHARN/A
BindingDB191026
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1.0 nM, NoneBindingDB,ChEMBL
IC50<1000000.0 nMN/ABindingDB

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