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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

NameCHEMBL76237
Molecular formulaC19H22N2O3S
IUPAC name2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
Molecular weight358.456
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.5
Synonyms2-[5-methoxy-1-(phenylsulfonyl)-1h-indol-3-yl]-N,N-dimethylethanamine
MS-245
SCHEMBL5499070
AC1OCFKC
NCGC00371046-02
[ Show all ]
Inchi KeyAIJIQCBYMBZLJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
PubChem CID6918542
ChEMBLCHEMBL76237
IUPHARN/A
BindingDB34141
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Affinity16.0 nMPMID15658848ChEMBL
Kb5.8 nMPMID21724392ChEMBL
Kd1.318 nMPMID12825922ChEMBL
Ki2.0 nMPMID15990303, PMID19758807, PMID15357994, PMID19159187BindingDB,ChEMBL
Ki2.1 nMPMID18201064, PMID21724392, PMID15745826, PMID12825922, Med Chem Res, (2005) 14:1:1BindingDB,ChEMBL
Ki2.3 nMPMID16125933, PMID23036955, PMID12825922, PMID24850589, PMID11055342, PMID26099069, PMID17948978, PMID11689074, PMID19433358, PMID18053713, PMID12951125BindingDB,ChEMBL
Ki2.5 nMPMID15974573BindingDB
Ki2.512 nMPMID21190848, PMID15974573ChEMBL
Ki>50.0 nMPMID15771424ChEMBL
pA28.88 nMPMID11055342ChEMBL

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