| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 19 | No |
Popular Name: (2S)-2-acetamido-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-pentanamide (2S)-2-acetamido-N-[(1S)-1-formy…
| 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) | 1.67 | 4.01 | -11.63 | 2 | 5 | 0 | 75 | 270.373 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 130 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 130 | 0.51 | Binding ≤ 1μM |
| CAN1_HUMAN | P07384 | Calpain 1, Human | 130 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix |
