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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

NameCHEMBL574403
Molecular formulaC17H16ClN7O2S2
IUPAC name6-chloro-N-[(3E)-3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-1,2-dihydroinden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
Molecular weight449.932
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50300674
6-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazono)-2,3-dihydro-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
Inchi KeyAIZSVQXXMKTPQP-LPYMAVHISA-N
Inchi IDInChI=1S/C17H16ClN7O2S2/c18-14-15(25-7-8-28-17(25)21-14)29(26,27)24-11-3-1-10-2-4-13(12(10)9-11)22-23-16-19-5-6-20-16/h1,3,7-9,24H,2,4-6H2,(H2,19,20,23)/b22-13+
PubChem CID45483622
ChEMBLCHEMBL574403
IUPHARN/A
BindingDB50300674
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50176.0 nMPMID19739674BindingDB,ChEMBL
Imax173.0 %PMID19739674ChEMBL
Inhibition<80.0 %PMID19739674ChEMBL
Ki2.2 nMPMID19739674BindingDB,ChEMBL

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