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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

NameMLS001149840
Molecular formulaC22H21NO2S
IUPAC nameN-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
Molecular weight363.475
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.9
SynonymsMolPort-004-649-719
MCULE-7134902388
SMR000688533
CHEMBL1353053
AKOS001424386
[ Show all ]
Inchi KeyAEIWIZFQCGLSSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21NO2S/c1-25-21-15-19(26-2)13-14-20(21)22(24)23(18-11-7-4-8-12-18)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3
PubChem CID24671646
ChEMBLCHEMBL1353053
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3512Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463315Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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