| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 32 | No |
Popular Name: (2S,3S)-N-[(1S)-1-benzyl-2-oxo-ethyl]-3-methyl-2-(1-naphthylsulfonylamino)pentanamide (2S,3S)-N-[(1S)-1-benzyl-2-oxo-e…
| 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) | 4.50 | 9.44 | -20.5 | 2 | 6 | 0 | 92 | 452.576 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1400 | 0.26 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 0.95 | 0.39 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 1400 | 0.26 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 0.95 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| 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 |
