| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 29 | No |
Popular Name: benzyl benzyl
| 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) | 5.70 | -0.51 | -13.43 | 2 | 6 | 0 | 84 | 396.487 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 35 | 0.36 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 20 | 0.37 | Binding ≤ 10μM |
| CPNS1-1-E | Calpain Small Subunit 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 35 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 10 | 0.39 | Binding ≤ 1μM |
| CPNS1_HUMAN | P04632 | Calpain Small Subunit 1, Human | 35 | 0.36 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 20 | 0.37 | Binding ≤ 1μM |
| CAN1_HUMAN | P07384 | Calpain 1, Human | 10 | 0.39 | Binding ≤ 10μM |
| CPNS1_HUMAN | P04632 | Calpain Small Subunit 1, Human | 35 | 0.36 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 20 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| Endosomal/Vacuolar pathway | |
| MHC class II antigen presentation | |
| Trafficking and processing of endosomal TLR |
