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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

NameSB-271046
Molecular formulaC20H22ClN3O3S2
IUPAC name5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight451.984
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsAKOS005266659
D07LRJ
NCGC00386219-06
SB19511
SCHEMBL194700
[ Show all ]
Inchi KeyLOCQRDBFWSXQQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
PubChem CID5312149
ChEMBLCHEMBL431298
IUPHAR276
BindingDB28583
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502.0 nMPMID24850589BindingDB
IC502.0 nMPMID24850589ChEMBL
Kb5.8 nMPMID24805037ChEMBL
Ki0.66 nMPMID19346128BindingDB,ChEMBL
Ki0.8 nMPMID15771424BindingDB,ChEMBL
Ki0.81 nMPMID14645659BindingDB
Ki1.0 nMPMID18053713, PMID15745826, PMID15974573, PMID12825922BindingDB,ChEMBL
Ki1.259 nMPMID21190848, PMID16143522, PMID11597412, PMID11992776ChEMBL
Ki1.26 nMPMID9925723IUPHAR
Ki1.3 nMPMID19433358, PMID24850589, PMID11597412, PMID10937732, PMID11992776BindingDB,ChEMBL
Ki1.7 nMPMID25637882BindingDB,ChEMBL
Ki3.0 nMPMID24878269ChEMBL
Ki3.0 nMPMID24878269BindingDB
Ki3.02 nMPMID24878269ChEMBL
Ki13.0 nMPMID19159187BindingDB,ChEMBL

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