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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL415985
Molecular formulaC21H24N2OS
IUPAC name3-methyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3-benzothiazol-2-one
Molecular weight352.496
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
Synonyms3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-benzothiazol-2-one
BDBM50111626
SCHEMBL8100660
3-Methyl-6-[2-(4-phenylpiperidino)ethyl]benzothiazoline-2-one
Inchi KeyJCYAYKQSZYSTGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3
PubChem CID9863340
ChEMBLCHEMBL415985
IUPHARN/A
BindingDB50111626
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1478565-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1478555-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
147853D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
147854Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
147852Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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