| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | Yes |
Popular Name: 1,1-diketo-2-(2,3,5,6-tetrafluoro-4-pyridyl)-1,2-benzothiazol-3-one 1,1-diketo-2-(2,3,5,6-tetrafluor…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.08 | 2.73 | -11.18 | 0 | 5 | 0 | 67 | 332.234 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATG-1-E | Cathepsin G (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3700 | 0.35 | Binding ≤ 10μM |
| ELNE-1-E | Neutrophil Elastase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 81 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 28 | 0.48 | Binding ≤ 1μM |
| CATG_HUMAN | P08311 | Cathepsin G, Human | 3700 | 0.35 | Binding ≤ 10μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 28 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| Metabolism of Angiotensinogen to Angiotensins | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |
