| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 36 | 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) | 3.96 | 8.66 | -25.86 | 2 | 6 | 0 | 99 | 525.568 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1050 | 0.23 | Binding ≤ 10μM |
| CATF-1-E | Cathepsin F (cluster #1 Of 1), Eukaryotic | Eukaryotes | 795 | 0.24 | Binding ≤ 10μM |
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.35 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 4843 | 0.21 | Binding ≤ 10μM |
| CATL2-1-E | Cathepsin L2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 762 | 0.24 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 60 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATF_HUMAN | Q9UBX1 | Cathepsin F, Human | 795 | 0.24 | Binding ≤ 1μM |
| CATK_RABIT | P43236 | Cathepsin K, Rabit | 1 | 0.35 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 0.2 | 0.38 | Binding ≤ 1μM |
| CATL2_HUMAN | O60911 | Cathepsin L2, Human | 762 | 0.24 | Binding ≤ 1μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 45 | 0.29 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 1034 | 0.23 | Binding ≤ 10μM |
| CATF_HUMAN | Q9UBX1 | Cathepsin F, Human | 795 | 0.24 | Binding ≤ 10μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 0.2 | 0.38 | Binding ≤ 10μM |
| CATK_RABIT | P43236 | Cathepsin K, Rabit | 1 | 0.35 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 2995 | 0.21 | Binding ≤ 10μM |
| CATL2_HUMAN | O60911 | Cathepsin L2, Human | 762 | 0.24 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 45 | 0.29 | 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 |
