| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 32 | No |
Popular Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-2-(1-naphthylsulfonylamino)propanamide (2S)-N-[(1R)-1-formyl-2-(1H-indo…
| 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) | 3.36 | 7.03 | -22.8 | 3 | 7 | 0 | 108 | 449.532 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 530 | 0.27 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB_HUMAN | P07858 | Cathepsin B, Human | 530 | 0.27 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 5.3 | 0.36 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 530 | 0.27 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 5.3 | 0.36 | 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 |
