| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 26 | Yes |
Popular Name: CC(C)C[C@@H](C(=O)N[C@H]1COCC1=O)NC(=O)c2cc3ccccc3s2 CC(C)C[C@@H](C(=O)N[C@H]1COCC1=O…
| 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) | 2.09 | -4.01 | -14.07 | 2 | 6 | 0 | 84 | 374.462 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.44 | Binding ≤ 10μM |
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 11 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK_HUMAN | P43235 | Cathepsin K, Human | 11 | 0.43 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 11 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| MHC class II antigen presentation | |
| Trafficking and processing of endosomal TLR |
