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Ligand

NameSMR000201550
Molecular formulaC24H26N2O3S2
IUPAC name4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
Molecular weight454.603
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
SynonymsSTL101283
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
MCULE-1402316996
AC1MG7GI
MolPort-002-298-202
[ Show all ]
Inchi KeyADGNKYCYINZIDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O3S2/c1-17-7-11-22(12-8-17)30-14-13-25-24(27)20-10-9-19(3)23(16-20)31(28,29)26-21-6-4-5-18(2)15-21/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
PubChem CID2981744
ChEMBLCHEMBL1563851
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
2294Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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