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Ligand

NameAC1LXTED
Molecular formulaC19H11NO4S2
IUPAC name(5Z)-5-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight381.42
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsMolPort-002-640-983
ZINC2226048
(5Z)-5-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
HMS2768C19
5-[1-(6-Hydroxy-4-oxo-4H-chromen-3-yl)-meth-(Z)-ylidene]-3-phenyl-2-thioxo-thiazolidin-4-one
[ Show all ]
Inchi KeyADTOQDFJFAQTAP-PXNMLYILSA-N
Inchi IDInChI=1S/C19H11NO4S2/c21-13-6-7-15-14(9-13)17(22)11(10-24-15)8-16-18(23)20(19(25)26-16)12-4-2-1-3-5-12/h1-10,21H/b16-8-
PubChem CID1857878
ChEMBLCHEMBL1610416
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
3075Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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