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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

NameCHEMBL1642428
Molecular formulaC22H26ClN3O2S
IUPAC name6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
Molecular weight431.979
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
Synonyms6-chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
BDBM50334264
SCHEMBL5448011
Inchi KeyAJQQBSCDJFVVMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
PubChem CID23652922
ChEMBLCHEMBL1642428
IUPHARN/A
BindingDB50334264
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki55.3 nMPMID21134749BindingDB,ChEMBL

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