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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

NameSCHEMBL931121
Molecular formulaC28H29N5O3
IUPAC name[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-(3-pyridin-3-yloxyazetidin-1-yl)methanone
Molecular weight483.572
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.4
SynonymsCHEMBL3650029
BDBM136350
US8859534, 36
Inchi KeyKYRROGZKWQXONT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N5O3/c34-28(33-19-24(20-33)35-23-7-4-10-29-18-23)26-17-21-5-3-8-25(27(21)36-26)32-15-13-31(14-16-32)12-9-22-6-1-2-11-30-22/h1-8,10-11,17-18,24H,9,12-16,19-20H2
PubChem CID59636724
ChEMBLCHEMBL3650029
IUPHARN/A
BindingDB136350
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.46 nM, NoneBindingDB,ChEMBL

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