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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesCricetulus griseus (Chinese hamster)
GeneHTR1B
Synonym5-HT-1B
5-HT1B
Serotonin receptor 1B
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMEEQGIQCAPPPPAASQTGVPLVNLSHNCSAESHIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPVSTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVEYAAKRTPKRAAIMIALVWVFSISISLPPFFWRQAKAEEEVLTCLVNTDHVLYTVYSTGGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTTSVTSINSRAPDLPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMATLDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCAG
UniProtP46636
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3707466
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL932193
Molecular formulaC25H28N6O2
IUPAC nameN-[(1-methylimidazol-4-yl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight444.539
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.4
SynonymsCHEMBL3647263
UJXLXQFGNRFHSK-UHFFFAOYSA-N
BDBM136319
N-((1-Methyl-1H-imidazol-4-yl)methyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
US8859534, 5
Inchi KeyUJXLXQFGNRFHSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N6O2/c1-29-17-21(28-18-29)16-27-25(32)23-15-19-5-4-7-22(24(19)33-23)31-13-11-30(12-14-31)10-8-20-6-2-3-9-26-20/h2-7,9,15,17-18H,8,10-14,16H2,1H3,(H,27,32)
PubChem CID59636775
ChEMBLCHEMBL3647263
IUPHARN/A
BindingDB136319
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki37.0 nM, NoneBindingDB,ChEMBL

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