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Literature summary for 3.4.24.17 extracted from

  • Rizzo, R.C.; Toba, S.; Kuntz, I.D.
    A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations (2004), J. Med. Chem., 47, 3065-3074.
    View publication on PubMed
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Inhibitors

Inhibitors Comment Organism Structure
(2S)-3-phenyl-2-(([(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)amino]carbonyl)amino)propanamide computational modeling of enzyme-inhibitor complex Homo sapiens
(2S)-N-methyl-3-(pentafluorophenyl)-2-(([(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)amino]carbonyl)amino)propanamide i.e. PNU-142372, computational modeling of enzyme-inhibitor complex Homo sapiens
(2S)-N-methyl-3-phenyl-2-(([(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)amino]carbonyl)amino)propanamide i.e. PNU-107859, computational modeling of enzyme-inhibitor complex Homo sapiens
alpha-[[[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino]-carbonyl]amino]-3-hydroxy-N-methyl-(S)-propanamide computational modeling of enzyme-inhibitor complex Homo sapiens
alpha-[[[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino]carbonyl]amino]-N,N-dimethyl-(S)-benzenepropanamide computational modeling of enzyme-inhibitor complex Homo sapiens
N-methyl-2-(([(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)amino]carbonyl)amino)acetamide computational modeling of enzyme-inhibitor complex Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
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