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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

NameSCHEMBL931797
Molecular formulaC29H32N4O4S
IUPAC nameN-[[4-(methylsulfonylmethyl)phenyl]methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight532.659
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsUS8859534, 17
CHEMBL3647275
BDBM136331
Inchi KeyKRXGOHJXVLYVSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N4O4S/c1-38(35,36)21-23-10-8-22(9-11-23)20-31-29(34)27-19-24-5-4-7-26(28(24)37-27)33-17-15-32(16-18-33)14-12-25-6-2-3-13-30-25/h2-11,13,19H,12,14-18,20-21H2,1H3,(H,31,34)
PubChem CID59636740
ChEMBLCHEMBL3647275
IUPHARN/A
BindingDB136331
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.3 nM, NoneBindingDB,ChEMBL

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