| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 15 | No |
(S)-tert-butyl 1-oxohexan-2-ylcarbamate
Carbamic acid, (1-formylpentyl)-, 1,1-dimethylethyl ester (9CI)
| 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) | 4.68 | 4.63 | -9.83 | 1 | 4 | 0 | 55 | 215.293 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK-2-E | Cathepsin K (cluster #2 Of 3), Eukaryotic | Eukaryotes | 51 | 0.68 | Binding ≤ 10μM |
| CATL1-3-E | Cathepsin L (cluster #3 Of 5), Eukaryotic | Eukaryotes | 8900 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK_HUMAN | P43235 | Cathepsin K, Human | 51 | 0.68 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 51 | 0.68 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 8900 | 0.47 | 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 |
