| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 33 | 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) | 5.37 | -2.7 | -18.02 | 3 | 7 | 0 | 104 | 446.503 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN2-1-E | Calpain 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 184 | 0.29 | Binding ≤ 10μM |
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 85 | 0.30 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN2_HUMAN | P17655 | Calpain 2, Human | 184 | 0.29 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 85.1 | 0.30 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 0.85 | 0.38 | Binding ≤ 1μM |
| CAN2_HUMAN | P17655 | Calpain 2, Human | 184 | 0.29 | Binding ≤ 10μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 85.1 | 0.30 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 0.85 | 0.38 | 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 |
