| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 44 | 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) | 8.37 | 2.34 | -9.97 | 3 | 6 | 0 | 111 | 602.812 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2100 | 0.18 | Binding ≤ 10μM |
| CATG-1-E | Cathepsin G (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2700 | 0.18 | Binding ≤ 10μM |
| PAPA1-1-E | Papain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.18 | Binding ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 8000 | 0.16 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB_HUMAN | P07858 | Cathepsin B, Human | 2100 | 0.18 | Binding ≤ 10μM |
| CATG_HUMAN | P08311 | Cathepsin G, Human | 2700 | 0.18 | Binding ≤ 10μM |
| PAPA1_CARPA | P00784 | Papain, Carpa | 1900 | 0.18 | Binding ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 8000 | 0.16 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| Metabolism of Angiotensinogen to Angiotensins | |
| MHC class II antigen presentation | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Trafficking and processing of endosomal TLR |
