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Ligand

NameMLS000538897
Molecular formulaC13H15N3O5S
IUPAC name4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Molecular weight325.339
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.2
SynonymsSMR000144734
1,7,7-trimethyl-N-(5-nitro-2-thiazolyl)-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
838255-91-7
HMS2438I22
ST50114588
[ Show all ]
Inchi KeyAANZMQGEJIZNKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15N3O5S/c1-11(2)12(3)4-5-13(11,21-9(12)18)8(17)15-10-14-6-7(22-10)16(19)20/h6H,4-5H2,1-3H3,(H,14,15,17)
PubChem CID2982735
ChEMBLCHEMBL1422860
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463003Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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