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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

NameCHEMBL3902976
Molecular formulaC24H29FN6O2
IUPAC name4-[1-[6-acetyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile
Molecular weight452.534
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.8
SynonymsBNLZKWDQCXRTAO-UHFFFAOYSA-N
SCHEMBL16818226
4-((1-(6-acetyl-3-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile
US9181249, 7
BDBM190896
Inchi KeyBNLZKWDQCXRTAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN6O2/c1-15(2)27-23-24(29-20-8-11-31(16(3)32)14-21(20)28-23)30-9-6-18(7-10-30)33-22-5-4-17(13-26)12-19(22)25/h4-5,12,15,18H,6-11,14H2,1-3H3,(H,27,28)
PubChem CID118159242
ChEMBLCHEMBL3902976
IUPHARN/A
BindingDB190896
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0866 nM, NoneBindingDB,ChEMBL
IC5086600.0 nMN/ABindingDB

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