| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 27 | No |
Popular Name: 3-[(1S)-1-benzyl-2-oxo-ethyl]-1-(2-benzyloxyethyl)-1-isopropyl-urea 3-[(1S)-1-benzyl-2-oxo-ethyl]-1-…
| 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) | 4.41 | 11.05 | -13.23 | 1 | 5 | 0 | 59 | 368.477 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 230 | 0.34 | Binding ≤ 10μM |
| CPNS1-1-E | Calpain Small Subunit 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 230 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_PIG | P35750 | Calpain 1, Pig | 230 | 0.34 | Binding ≤ 1μM |
| CPNS1_PIG | P04574 | Calpain Small Subunit 1, Pig | 230 | 0.34 | Binding ≤ 1μM |
| CAN1_PIG | P35750 | Calpain 1, Pig | 230 | 0.34 | Binding ≤ 10μM |
| CPNS1_PIG | P04574 | Calpain Small Subunit 1, Pig | 230 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix |
