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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

NameSCHEMBL932199
Molecular formulaC28H32N4O3
IUPAC name1-[5-[2-[4-[2-(azetidine-1-carbonyl)-1-benzofuran-7-yl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
Molecular weight472.589
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM136363
JJFIAOXNXKGGSA-UHFFFAOYSA-N
1-(5-(2-(4-(2-(Azetidine-1-carbonyl)benzofuran-7-yl)piperazin-1-yl)ethyl)indolin-1-yl)ethanone
CHEMBL3650042
US8859534, 49
Inchi KeyJJFIAOXNXKGGSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N4O3/c1-20(33)32-13-9-22-18-21(6-7-24(22)32)8-12-29-14-16-30(17-15-29)25-5-2-4-23-19-26(35-27(23)25)28(34)31-10-3-11-31/h2,4-7,18-19H,3,8-17H2,1H3
PubChem CID59636721
ChEMBLCHEMBL3650042
IUPHARN/A
BindingDB136363
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki14.0 nM, NoneBindingDB,ChEMBL

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