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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

Namemethysergide
Molecular formulaC21H27N3O2
IUPAC name(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight353.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.3
SynonymsD0O6GC
DSSTox_CID_3307
Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-
Methyllysergic acid butanolamide
(6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide
[ Show all ]
Inchi KeyKPJZHOPZRAFDTN-ZRGWGRIASA-N
Inchi IDInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
PubChem CID9681
ChEMBLCHEMBL1065
IUPHAR134
BindingDB30708, 50031942
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki40.7 nMPMID8224165BindingDB
Ki40.73 nMPMID7984267BindingDB
Ki195.6 nMPMID7682702BindingDB
Ki1000.0 nMPMID7984267BindingDB

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