| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 30 | No |
| 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) | 2.87 | -2.16 | -52.34 | 3 | 7 | 1 | 89 | 412.558 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 61 | 0.34 | Binding ≤ 10μM |
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 503 | 0.29 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.26 | Binding ≤ 10μM |
| Z100727-1-O | A20 (Sarcoma B-lymphocytes) (cluster #1 Of 1), Other | Other | 6180 | 0.24 | Functional ≤ 10μM |
| Z100750-1-O | Osteoclasts (cluster #1 Of 1), Other | Other | 97 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB_HUMAN | P07858 | Cathepsin B, Human | 61 | 0.34 | Binding ≤ 1μM |
| CATK_RABIT | P43236 | Cathepsin K, Rabit | 2.7 | 0.40 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 0.6 | 0.43 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 48 | 0.34 | Binding ≤ 1μM |
| CATS_MOUSE | O70370 | Cathepsin S, Mouse | 480 | 0.29 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 4800 | 0.25 | Binding ≤ 10μM |
| CATK_RABIT | P43236 | Cathepsin K, Rabit | 2.7 | 0.40 | Binding ≤ 10μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 0.6 | 0.43 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 48 | 0.34 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 2900 | 0.26 | Binding ≤ 10μM |
| CATS_MOUSE | O70370 | Cathepsin S, Mouse | 480 | 0.29 | Binding ≤ 10μM |
| Z100727 | Z100727 | A20 (Sarcoma B-lymphocytes) | 6180 | 0.24 | Functional ≤ 10μM |
| Z100750 | Z100750 | Osteoclasts | 97 | 0.33 | 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 |
