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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

NameCHEMBL75029
Molecular formulaC19H21ClN2O3S
IUPAC name2-[1-(4-chlorophenyl)sulfonyl-7-methoxyindol-3-yl]-N,N-dimethylethanamine
Molecular weight392.898
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50093049
N,N-Dimethyl-1-(4-chlorophenylsulfonyl)-7-methoxy-1H-indole-3-ethanamine
{2-[1-(4-Chloro-benzenesulfonyl)-7-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
Inchi KeyAJHPZVCDJLLSRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21ClN2O3S/c1-21(2)12-11-14-13-22(19-17(14)5-4-6-18(19)25-3)26(23,24)16-9-7-15(20)8-10-16/h4-10,13H,11-12H2,1-3H3
PubChem CID12017574
ChEMBLCHEMBL75029
IUPHARN/A
BindingDB50093049
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki45.0 nMPMID11055342BindingDB,ChEMBL

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