| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 36 | 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) | 5.55 | 9.32 | -12.07 | 3 | 8 | 0 | 114 | 495.62 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.24 | Binding ≤ 10μM |
| CAN2-1-E | Calpain 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 43 | 0.29 | Binding ≤ 10μM |
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CPNS1-1-E | Calpain Small Subunit 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 0.8 | 0.35 | Binding ≤ 1μM |
| CAN2_HUMAN | P17655 | Calpain 2, Human | 0.1 | 0.39 | Binding ≤ 1μM |
| CPNS1_HUMAN | P04632 | Calpain Small Subunit 1, Human | 800 | 0.24 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 0.2 | 0.38 | Binding ≤ 1μM |
| CATB_BOVIN | P07688 | Cathepsin B, Bovin | 200 | 0.26 | Binding ≤ 1μM |
| CAN1_HUMAN | P07384 | Calpain 1, Human | 0.8 | 0.35 | Binding ≤ 10μM |
| CAN2_HUMAN | P17655 | Calpain 2, Human | 0.1 | 0.39 | Binding ≤ 10μM |
| CPNS1_HUMAN | P04632 | Calpain Small Subunit 1, Human | 800 | 0.24 | Binding ≤ 10μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 0.2 | 0.38 | Binding ≤ 10μM |
| CATB_BOVIN | P07688 | Cathepsin B, Bovin | 200 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| MHC class II antigen presentation | |
| Trafficking and processing of endosomal TLR |
