| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 28 | 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) | 3.10 | 7.43 | -16.98 | 2 | 7 | 0 | 100 | 401.898 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 5.07 | -42.14 | 1 | 7 | -1 | 106 | 400.89 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Cysteine Protease | Selleck Chemicals |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 6310 | 0.26 | Binding ≤ 10μM |
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3162 | 0.28 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 13 | 0.39 | Binding ≤ 10μM |
| CATL2-1-E | Cathepsin L2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.33 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 12.5892541 | 0.40 | Binding ≤ 1μM |
| CATL2_HUMAN | O60911 | Cathepsin L2, Human | 199.526231 | 0.34 | Binding ≤ 1μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 1000 | 0.30 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 6309.57344 | 0.26 | Binding ≤ 10μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 3162.27766 | 0.28 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 12.5892541 | 0.40 | Binding ≤ 10μM |
| CATL2_HUMAN | O60911 | Cathepsin L2, Human | 199.526231 | 0.34 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 1000 | 0.30 | 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 |
