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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

NameSCHEMBL931803
Molecular formulaC27H26N6O2
IUPAC nameN-[(6-cyanopyridin-3-yl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight466.545
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsUS8859534, 20
CHEMBL3647278
BDBM136334
Inchi KeyAUKYRYHMNPCTOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N6O2/c28-17-23-8-7-20(18-30-23)19-31-27(34)25-16-21-4-3-6-24(26(21)35-25)33-14-12-32(13-15-33)11-9-22-5-1-2-10-29-22/h1-8,10,16,18H,9,11-15,19H2,(H,31,34)
PubChem CID59636713
ChEMBLCHEMBL3647278
IUPHARN/A
BindingDB136334
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.6 nM, NoneBindingDB,ChEMBL

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