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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

NameCHEMBL3935030
Molecular formulaC25H35FN6O3
IUPAC name2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N,N-dimethyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
Molecular weight486.592
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM190935
HARGAPZWEJDNCT-UHFFFAOYSA-N
SCHEMBL16818383
2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-3-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide
US9181249, 46
Inchi KeyHARGAPZWEJDNCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35FN6O3/c1-16(2)27-23-24(29-20-10-13-32(15-21(20)28-23)25(33)30(3)4)31-11-8-17(9-12-31)35-22-7-6-18(34-5)14-19(22)26/h6-7,14,16-17H,8-13,15H2,1-5H3,(H,27,28)
PubChem CID118159393
ChEMBLCHEMBL3935030
IUPHARN/A
BindingDB190935
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.035 nM, NoneBindingDB,ChEMBL
IC5035000.0 nMN/ABindingDB

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