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Ligand

NameMLS001158543
Molecular formulaC17H17ClN2O5S2
IUPAC name2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
Molecular weight428.902
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.1
SynonymsN-(1,1-dioxothiolan-3-yl)-2-{5-[(4-chlorophenyl)methylene]-2,4-dioxo(1,3-thiaz olidin-3-yl)}-N-methylacetamide
BDBM74153
ST51066424
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
cid_6237118
[ Show all ]
Inchi KeyAGJIQRIKJJYAIX-ZSOIEALJSA-N
Inchi IDInChI=1S/C17H17ClN2O5S2/c1-19(13-6-7-27(24,25)10-13)15(21)9-20-16(22)14(26-17(20)23)8-11-2-4-12(18)5-3-11/h2-5,8,13H,6-7,9-10H2,1H3/b14-8-
PubChem CID6237118
ChEMBLCHEMBL1412071
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
463484Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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