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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

NameSCHEMBL16818198
Molecular formulaC24H30F2N6O2
IUPAC name1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-[[(3R)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight472.541
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.5
SynonymsUS9181249, 153
BDBM191041
Inchi KeyDDOBOIJPLXJEPX-LJQANCHMSA-N
Inchi IDInChI=1S/C24H30F2N6O2/c1-16(33)32-6-4-21-22(14-32)28-23(27-19-5-11-34-15-19)24(29-21)31-9-7-30(8-10-31)13-17-2-3-18(25)12-20(17)26/h2-3,12,19H,4-11,13-15H2,1H3,(H,27,28)/t19-/m1/s1
PubChem CID118159217
ChEMBLN/A
IUPHARN/A
BindingDB191041
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0632 nMN/ABindingDB
IC5063200.0 nMN/ABindingDB

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