| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 29 | Yes |
Popular Name: N-[(1S)-1-(2-indolin-1-ylethylcarbamoyl)-3-methyl-butyl]-3-methyl-benzamide N-[(1S)-1-(2-indolin-1-ylethylca…
| 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) | 4.02 | 8.51 | -10.88 | 2 | 5 | 0 | 61 | 393.531 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 310 | 0.31 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 88 | 0.34 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 230 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK_HUMAN | P43235 | Cathepsin K, Human | 310 | 0.31 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 88 | 0.34 | Binding ≤ 1μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 230 | 0.32 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 310 | 0.31 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 88 | 0.34 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 230 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| Endosomal/Vacuolar pathway | |
| MHC class II antigen presentation | |
| Trafficking and processing of endosomal TLR |
