| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | No |
Popular Name: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate tert-butyl N-(4-methyl-1-oxopent…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58521-45-2 , 91254-81-8 , [58521-45-2]
| 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) | 4.39 | 1.29 | -9.76 | 1 | 4 | 0 | 55 | 215.293 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0295540A2; EP0295540B1 | IBM Patent Data |
| Boiling_Point | n.d. | Squarix |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK-2-E | Cathepsin K (cluster #2 Of 3), Eukaryotic | Eukaryotes | 31 | 0.70 | Binding ≤ 10μM |
| CATK-2-E | Cathepsin K (cluster #2 Of 3), Eukaryotic | Eukaryotes | 31 | 0.70 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK_HUMAN | P43235 | Cathepsin K, Human | 31 | 0.70 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 31 | 0.70 | 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 |
