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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

NameERGOTAMINE
Molecular formulaC33H35N5O5
IUPAC name(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight581.673
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.0
SynonymsErgotamine (INN)
Ergotamine, tartrate (2:1)
Exmigra
Lingraine
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
[ Show all ]
Inchi KeyXCGSFFUVFURLIX-VFGNJEKYSA-N
Inchi IDInChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
PubChem CID8223
ChEMBLCHEMBL442
IUPHAR149
BindingDB50027065
DrugBankDB00696

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki6.3 nMPMID7682702BindingDB
Ki15.84 nMPMID7984267BindingDB

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