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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

NameCHEMBL1080899
Molecular formulaC22H21N3O2S
IUPAC name8-[1-(1-methylpyrrolidin-3-yl)indol-3-yl]sulfonylquinoline
Molecular weight391.489
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
Synonyms8-(1-(1-methylpyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quinoline
BDBM50313126
Inchi KeyAJEWXUIXKDZAJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N3O2S/c1-24-13-11-17(14-24)25-15-21(18-8-2-3-9-19(18)25)28(26,27)20-10-4-6-16-7-5-12-23-22(16)20/h2-10,12,15,17H,11,13-14H2,1H3
PubChem CID46880759
ChEMBLCHEMBL1080899
IUPHARN/A
BindingDB50313126
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5076.0 nMPMID20138763BindingDB,ChEMBL
Imax97.0 %PMID20138763ChEMBL
Ki2.8 nMPMID20138763BindingDB,ChEMBL

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