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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

NameZiprasidone
Molecular formulaC21H21ClN4OS
IUPAC name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
Molecular weight412.936
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsCP 88059
CP-880591
122883-93-6,138982-67-9(ClH.H2O),146939-27-7(freebase)
Geodon
4770-EP2275420A1
[ Show all ]
Inchi KeyMVWVFYHBGMAFLY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
PubChem CID60854
ChEMBLCHEMBL708
IUPHAR59
BindingDB50048803
DrugBankDB00246

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Ki60.9 nMPMID12629531PDSP,BindingDB
Ki61.0 nMPMID20719507, http://pdsp.med.unc.edu/pdsp.php, PMID23919353PDSP,BindingDB,ChEMBL
Ki63.1 nMPMID17880057ChEMBL
Ki76.0 nMPMID18595716PDSP,BindingDB,ChEMBL

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