| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 32 | No |
Popular Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(4-piperazin-1-ylphenyl)benzamide N-[(1S)-1-(cyanomethylcarbamoyl)…
| 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) | 2.86 | 8.48 | -53.71 | 4 | 7 | 1 | 102 | 434.564 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 7.19 | -12.66 | 3 | 7 | 0 | 97 | 433.556 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK-1-E | Cathepsin K (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK_HUMAN | P43235 | Cathepsin K, Human | 0.1 | 0.44 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 0.1 | 0.44 | 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 |
