| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 23 | No |
Popular Name: N-[(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]benzamide N-[(1S)-2-(cyanomethylamino)-1-(…
None
| 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) | 2.75 | 6.92 | -14.5 | 2 | 5 | 0 | 82 | 313.401 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 940 | 0.37 | Binding ≤ 10μM |
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1030 | 0.36 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 55 | 0.44 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
| Z100727-1-O | A20 (Sarcoma B-lymphocytes) (cluster #1 Of 1), Other | Other | 1220 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB_HUMAN | P07858 | Cathepsin B, Human | 940 | 0.37 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 230 | 0.40 | Binding ≤ 1μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 10 | 0.49 | Binding ≤ 1μM |
| CATS_MOUSE | O70370 | Cathepsin S, Mouse | 13 | 0.48 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 940 | 0.37 | Binding ≤ 10μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 1030 | 0.36 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 230 | 0.40 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 10 | 0.49 | Binding ≤ 10μM |
| CATS_MOUSE | O70370 | Cathepsin S, Mouse | 13 | 0.48 | Binding ≤ 10μM |
| Z100727 | Z100727 | A20 (Sarcoma B-lymphocytes) | 1220 | 0.36 | Functional ≤ 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 |
No pre-computed analogs available. Try a structural similarity search.
