argadin: a chitinase inhibitor, produced by Clonostachys sp. FO-7314; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 449123 |
| CHEMBL ID | 445236 |
| SCHEMBL ID | 141316 |
| MeSH ID | M0377952 |
| Synonym |
|---|
| argadin |
| 289665-92-5 |
| fo 7314 |
| d-proline, n-[2-(3-amino-5-hydroxy-2-oxo-1-pyrrolidinyl)-3-(1h-imidazol-4-yl)-1-oxopropyl]-5-carboxy-l-norvalyl-n5-[(acetylamino)iminomethyl]-l-ornithyl-, (3>1)-lactam (9ci) |
| 1W9U |
| 1WAW |
| DB04350 |
| bdbm10854 |
| chembl445236 , |
| 4-[(1s,4r,10s,13s,16s,18r)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-(1h-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0^{4,8}]icosan-13-yl]butanoic acid |
| SCHEMBL141316 |
| bdbm50089857 |
| DTXSID40332296 |
| Q654611 |
| 4-[(1s,4r,10s,13s,16s,18r)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1h-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chitinase B | Serratia marcescens | IC50 (µMol) | 0.1374 | 0.0034 | 2.9492 | 6.4000 | AID1227264; AID1796549; AID381960 |
| Chitinase B | Serratia marcescens | Ki | 0.0200 | 0.0200 | 0.0200 | 0.0200 | AID1796549 |
| Chitotriosidase-1 | Homo sapiens (human) | IC50 (µMol) | 0.2565 | 0.0130 | 1.7733 | 4.5000 | AID1796549 |
| Chitotriosidase-1 | Homo sapiens (human) | Ki | 0.0200 | 0.0200 | 0.0200 | 0.0200 | AID1796549 |
| Endochitinase B1 | Aspergillus fumigatus | IC50 (µMol) | 0.2565 | 0.0130 | 1.7733 | 4.5000 | AID1796549 |
| Endochitinase B1 | Aspergillus fumigatus | Ki | 0.0200 | 0.0170 | 0.0185 | 0.0200 | AID1796549 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chitinase B | Serratia marcescens | Kd | 3.6500 | 0.4600 | 2.9453 | 9.3900 | AID1796549 |
| Chitotriosidase-1 | Homo sapiens (human) | Kd | 3.6500 | 0.4600 | 2.9453 | 9.3900 | AID1796549 |
| Endochitinase B1 | Aspergillus fumigatus | Kd | 3.6500 | 0.4600 | 2.9453 | 9.3900 | AID1796549 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| polysaccharide catabolic process | Chitotriosidase-1 | Homo sapiens (human) |
| chitin catabolic process | Chitotriosidase-1 | Homo sapiens (human) |
| immune response | Chitotriosidase-1 | Homo sapiens (human) |
| response to bacterium | Chitotriosidase-1 | Homo sapiens (human) |
| polysaccharide digestion | Chitotriosidase-1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| hydrolase activity, hydrolyzing O-glycosyl compounds | Chitotriosidase-1 | Homo sapiens (human) |
| chitinase activity | Chitotriosidase-1 | Homo sapiens (human) |
| chitin binding | Chitotriosidase-1 | Homo sapiens (human) |
| endochitinase activity | Chitotriosidase-1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| extracellular region | Chitotriosidase-1 | Homo sapiens (human) |
| extracellular space | Chitotriosidase-1 | Homo sapiens (human) |
| lysosome | Chitotriosidase-1 | Homo sapiens (human) |
| specific granule lumen | Chitotriosidase-1 | Homo sapiens (human) |
| tertiary granule lumen | Chitotriosidase-1 | Homo sapiens (human) |
| extracellular region | Chitotriosidase-1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1796549 | Enzyme Inhibition Assay from Article 10.1016/j.chembiol.2004.10.013: \\Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases.\\ | 2005 | Chemistry & biology, Jan, Volume: 12, Issue:1 | Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases. |
| AID381961 | Inhibition of Lucilia cuprina chitinase B | 2008 | Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7 | Computational analysis of the binding affinities of the natural-product cyclopentapeptides argifin and argadin to chitinase B from Serratia marcescens. |
| AID1227264 | Inhibition of Serratia marcescens chitinase ChiB | 2015 | Journal of medicinal chemistry, Jun-25, Volume: 58, Issue:12 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase. |
| AID381960 | Binding affinity to Serratia marcescens chitinase B | 2008 | Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7 | Computational analysis of the binding affinities of the natural-product cyclopentapeptides argifin and argadin to chitinase B from Serratia marcescens. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 7 (58.33) | 29.6817 |
| 2010's | 5 (41.67) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (23.17) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 4 (33.33%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 8 (66.67%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||