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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

NameCHEMBL3717221
Molecular formulaC25H23F5N6O2
IUPAC name2-(cyclopropylamino)-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid
Molecular weight534.491
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyDYFSMZWCIRAOCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22F2N6.C2HF3O2/c24-17-2-5-19(25)16(12-17)14-30-7-9-31(10-8-30)23-22(27-18-3-4-18)28-20-6-1-15(13-26)11-21(20)29-23;3-2(4,5)1(6)7/h1-2,5-6,11-12,18H,3-4,7-10,14H2,(H,27,28);(H,6,7)
PubChem CID127024688
ChEMBLCHEMBL3717221
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC50380.0 nMNoneChEMBL

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