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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

NameCHEMBL3696970
Molecular formulaC20H21NO5S
IUPAC name1-[[8-(benzenesulfonyl)-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-6-yl]oxy]propan-2-ol
Molecular weight387.45
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL10345200
BDBM166362
US9067949, 219
Inchi KeyAHXOZVYYRPXHSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21NO5S/c1-13(22)12-25-19-10-15(27(23,24)14-5-3-2-4-6-14)9-16-17-11-21-8-7-18(17)26-20(16)19/h2-6,9-10,13,21-22H,7-8,11-12H2,1H3
PubChem CID68115874
ChEMBLCHEMBL3696970
IUPHARN/A
BindingDB166362
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.7 nM, NoneBindingDB,ChEMBL

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