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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

NameCHEMBL3956900
Molecular formulaC23H28F3N5O2
IUPAC name1-[2-[(3S)-4-(2,4-difluorophenoxy)-3-fluoropiperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight463.505
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsN/A
Inchi KeyBHUANKJWBGSZEU-PBVYKCSPSA-N
Inchi IDInChI=1S/C23H28F3N5O2/c1-13(2)27-22-23(29-18-6-8-30(14(3)32)12-19(18)28-22)31-9-7-21(17(26)11-31)33-20-5-4-15(24)10-16(20)25/h4-5,10,13,17,21H,6-9,11-12H2,1-3H3,(H,27,28)/t17-,21?/m0/s1
PubChem CID134154898
ChEMBLCHEMBL3956900
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0378 nMNoneChEMBL

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