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Literature summary for 1.4.3.3 extracted from

  • Szilagyi, B.; Skok, Z.; Racz, A.; Frlan, R.; Ferenczy, G.G.; Ilas, J.; Keseru, G.M.
    Discovery of d-amino acid oxidase inhibitors based on virtual screening against the lid-open enzyme conformation (2018), Bioorg. Med. Chem. Lett., 28, 1693-1698 .
    View publication on PubMed
Search for more literature for 1.4.3.3

Inhibitors

Inhibitors Comment Organism Structure
([4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid 100% inhibition at 0.02 mM Homo sapiens
([4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid 100% inhibition at 0.02 mM Homo sapiens
([4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid 100% inhibition at 0.02 mM Homo sapiens
([4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid 100% inhibition at 0.02 mM Homo sapiens
additional information identification of inhibitors by a structure based virtual screening campaign based on the X-ray structures of DAAO complexes where larger ligands shift the loop (lid opening) covering the native binding site followed by the in vitro test. Compounds bind to the active site with a salt-bridge. Displacement of and interaction with the loop covering the active site contributes significantly to the activity of the most potent compounds Homo sapiens
[[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl](methyl)amino]acetic acid 100% inhibition at 0.02 mM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P14920
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00039
-
 pH not specified in the publication, temperature not specified in the publication Homo sapiens ([4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid
0.00049
-
 pH not specified in the publication, temperature not specified in the publication Homo sapiens [[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl](methyl)amino]acetic acid
0.0052
-
 pH not specified in the publication, temperature not specified in the publication Homo sapiens ([4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid
0.0067
-
 pH not specified in the publication, temperature not specified in the publication Homo sapiens ([4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid
0.0088
-
 pH not specified in the publication, temperature not specified in the publication Homo sapiens ([4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino)acetic acid