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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL3352998
Molecular formulaC22H21ClN2O2S
IUPAC name1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
Molecular weight412.932
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.2
SynonymsSCHEMBL11294198
BDBM50032306
Inchi KeyACRYAMZGHWMSRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21ClN2O2S/c1-22(21(27)24-13-15-6-8-17(23)9-7-15)10-11-25(22)20(26)12-16-14-28-19-5-3-2-4-18(16)19/h2-9,14H,10-13H2,1H3,(H,24,27)
PubChem CID70556487
ChEMBLCHEMBL3352998
IUPHARN/A
BindingDB50032306
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
441741Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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