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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

NameSCHEMBL932715
Molecular formulaC29H32N4O4S
IUPAC nameN-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight532.659
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL3647277
BDBM136333
US8859534, 19
Inchi KeyBGPFUQDEHMKOKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N4O4S/c1-31(21-22-7-5-10-25(19-22)38(2,35)36)29(34)27-20-23-8-6-11-26(28(23)37-27)33-17-15-32(16-18-33)14-12-24-9-3-4-13-30-24/h3-11,13,19-20H,12,14-18,21H2,1-2H3
PubChem CID59636719
ChEMBLCHEMBL3647277
IUPHARN/A
BindingDB136333
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nM, NoneBindingDB,ChEMBL

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