| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2005 | 27 | Yes |
Popular Name: 2-(2-benzyloxycarbonylamino-4-methyl-pentanoyl)amino-4-methyl-pentanoic 2-(2-benzyloxycarbonylamino-4-me…
| 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) | 3.52 | -1.01 | -51.39 | 2 | 7 | -1 | 107 | 377.461 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 7 | 0.42 | Binding ≤ 1μM |
| CAN1_HUMAN | P07384 | Calpain 1, Human | 7 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix |
