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GPCR

Name5-hydroxytryptamine receptor 5B
SpeciesRattus norvegicus (Rat)
GeneHtr5b
SynonymMR22
HTR5B
GPR134
G protein-coupled receptor 134
5-HT-5B
[ Show all ]
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMEVSNLSGATPGIAFPPGPESCSDSPSSGRSMGSTPGGLILSGREPPFSAFTVLVVTLLVLLIAATFLWNLLVLVTILRVRAFHRVPHNLVASTAVSDVLVAALVMPLSLVSELSAGRRWQLGRSLCHVWISFDVLCCTASIWNVAAIALDRYWTITRHLQYTLRTRRRASALMIAITWALSALIALAPLLFGWGEAYDARLQRCQVSQEPSYAVFSTCGAFYVPLAVVLFVYWKIYKAAKFRFGRRRRAVVPLPATTQAKEAPQESETVFTARCRATVAFQTSGDSWREQKEKRAAMMVGILIGVFVLCWIPFFLTELVSPLCACSLPPIWKSIFLWLGYSNSFFNPLIYTAFNKNYNNAFKSLFTKQR
UniProtP35365
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2619
IUPHARN/A
DrugBankN/A

Ligand

Namemethiothepin
Molecular formulaC20H24N2S2
IUPAC name1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Molecular weight356.546
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
SynonymsBSPBio_003203
D0X6MT
HMS2089P11
mesylic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Metitepine [INN]
[ Show all ]
Inchi KeyRLJFTICUTYVZDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
PubChem CID4106
ChEMBLCHEMBL93240
IUPHAR89
BindingDB78940
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki28.9 nMPMID7682702BindingDB
Ki43.65 nMPMID7984267BindingDB
Ki44.2 nMPMID8224165BindingDB
Ki144.54 nMPMID7984267BindingDB

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