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Ligand

NameMLS000391861
Molecular formulaC22H20N2O5S
IUPAC nameN-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-1,4-dioxonaphthalen-2-yl]benzamide
Molecular weight424.471
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.4
SynonymsN-[3-[(1,1-diketothiolan-3-yl)-methyl-amino]-1,4-diketo-2-naphthyl]benzamide
Z56783837
HMS2611G22
N-[3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1,4-bis(oxidanylidene)naphthalen-2-yl]benzamide
AKOS034454249
[ Show all ]
Inchi KeyAHASJIZTACJIMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N2O5S/c1-24(15-11-12-30(28,29)13-15)19-18(23-22(27)14-7-3-2-4-8-14)20(25)16-9-5-6-10-17(16)21(19)26/h2-10,15H,11-13H2,1H3,(H,23,27)
PubChem CID3342467
ChEMBLCHEMBL1542693
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
5396Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5395Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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