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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

NameSCHEMBL931632
Molecular formulaC22H26N4O2
IUPAC nameN,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight378.476
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
SynonymsN,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CHEMBL3647269
BDBM136325
MKTRMPIBOZYXTR-UHFFFAOYSA-N
US8859534, 11
Inchi KeyMKTRMPIBOZYXTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N4O2/c1-24(2)22(27)20-16-17-6-5-8-19(21(17)28-20)26-14-12-25(13-15-26)11-9-18-7-3-4-10-23-18/h3-8,10,16H,9,11-15H2,1-2H3
PubChem CID49848635
ChEMBLCHEMBL3647269
IUPHARN/A
BindingDB136325
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.1 nM, NoneBindingDB,ChEMBL

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