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GPCR

Name5-hydroxytryptamine receptor 6
SpeciesHomo sapiens (Human)
GeneHTR6
Synonym5-HT6 receptor
5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled
5-HT-6
serotonin receptor 6
ST-B17
[ Show all ]
DiseaseSchizophrenia
Obesity
Neurological disease
Neurodegenerative disease
Emesis
[ Show all ]
Length440
Amino acid sequenceMVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProtP50406
Protein Data BankN/A
GPCR-HGmod modelP50406
3D structure modelThis predicted structure model is from GPCR-EXP P50406.
BioLiPN/A
Therapeutic Target DatabaseT16691
ChEMBLCHEMBL3371
IUPHAR11
DrugBankBE0000945

Ligand

NameCHEMBL1081793
Molecular formulaC22H25FN2O3S
IUPAC name1-(1-ethylpiperidin-3-yl)-3-(3-fluorophenyl)sulfonyl-5-methoxyindole
Molecular weight416.511
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50313135
1-(1-ethylpiperidin-3-yl)-3-(3-fluorophenylsulfonyl)-5-methoxy-1H-indole
Inchi KeyANKIDBINXHGJGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN2O3S/c1-3-24-11-5-7-17(14-24)25-15-22(20-13-18(28-2)9-10-21(20)25)29(26,27)19-8-4-6-16(23)12-19/h4,6,8-10,12-13,15,17H,3,5,7,11,14H2,1-2H3
PubChem CID46880531
ChEMBLCHEMBL1081793
IUPHARN/A
BindingDB50313135
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50203.0 nMPMID20138763BindingDB,ChEMBL
Emax50.0 %PMID20138763ChEMBL
Ki16.0 nMPMID20138763BindingDB,ChEMBL

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