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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

NameSCHEMBL16818294
Molecular formulaC25H31F4N5O3
IUPAC name(2R)-1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-2-methoxypropan-1-one
Molecular weight525.549
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.9
SynonymsUS9181249, 114
(2R)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one
CNIJPVCRGBRADO-YSSOQSIOSA-N
(2R)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one
BDBM191001
Inchi KeyCNIJPVCRGBRADO-YSSOQSIOSA-N
Inchi IDInChI=1S/C25H31F4N5O3/c1-14-10-19-20(13-34(14)25(35)15(2)36-3)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)37-21-5-4-16(26)11-18(21)27/h4-5,11,14-15,17,22H,6-10,12-13H2,1-3H3,(H,30,31)/t14?,15-/m1/s1
PubChem CID118159308
ChEMBLN/A
IUPHARN/A
BindingDB191001
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC500.0185 nMN/ABindingDB
IC5018500.0 nMN/ABindingDB

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