| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 25 | No |
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CAS Number: 66701-25-5
| 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) | -1.37 | 1.94 | -73.1 | 7 | 10 | 0 | 174 | 357.411 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 16 | 0.44 | Binding ≤ 10μM |
| CATC-1-E | Dipeptidyl Peptidase I (cluster #1 Of 3), Eukaryotic | Eukaryotes | 770 | 0.34 | Binding ≤ 10μM |
| CATH-1-E | Cathepsin H (cluster #1 Of 2), Eukaryotic | Eukaryotes | 190 | 0.38 | Binding ≤ 10μM |
| CATL1-1-E | Cathepsin L (cluster #1 Of 5), Eukaryotic | Eukaryotes | 47 | 0.41 | Binding ≤ 10μM |
| CATS-2-E | Cathepsin S (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7 | 0.46 | Binding ≤ 10μM |
| PAPA1-2-E | Papain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 47 | 0.41 | Binding ≤ 10μM |
| Q9N6S8-1-E | Falcipain 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 58 | 0.41 | Binding ≤ 10μM |
| Q9NBA7-1-E | Cysteine Protease Falcipain-3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 75 | 0.40 | Binding ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 9300 | 0.28 | Functional ≤ 10μM |
| Z50426-3-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #3 Of 9), Other | Other | 2500 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATB_HUMAN | P07858 | Cathepsin B, Human | 10 | 0.45 | Binding ≤ 1μM |
| CATH_HUMAN | P09668 | Cathepsin H, Human | 190 | 0.38 | Binding ≤ 1μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 13 | 0.44 | Binding ≤ 1μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 7 | 0.46 | Binding ≤ 1μM |
| Q9NBA7_PLAFA | Q9NBA7 | Cysteine Protease Falcipain-3, Plafa | 35 | 0.42 | Binding ≤ 1μM |
| CATC_HUMAN | P53634 | Dipeptidyl Peptidase I, Human | 770 | 0.34 | Binding ≤ 1μM |
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 15 | 0.44 | Binding ≤ 1μM |
| PAPA1_CARPA | P00784 | Papain, Carpa | 47 | 0.41 | Binding ≤ 1μM |
| CATB_HUMAN | P07858 | Cathepsin B, Human | 10 | 0.45 | Binding ≤ 10μM |
| CATH_HUMAN | P09668 | Cathepsin H, Human | 190 | 0.38 | Binding ≤ 10μM |
| CATL1_HUMAN | P07711 | Cathepsin L, Human | 13 | 0.44 | Binding ≤ 10μM |
| CATS_HUMAN | P25774 | Cathepsin S, Human | 7 | 0.46 | Binding ≤ 10μM |
| Q9NBA7_PLAFA | Q9NBA7 | Cysteine Protease Falcipain-3, Plafa | 35 | 0.42 | Binding ≤ 10μM |
| CATC_HUMAN | P53634 | Dipeptidyl Peptidase I, Human | 770 | 0.34 | Binding ≤ 10μM |
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 15 | 0.44 | Binding ≤ 10μM |
| PAPA1_CARPA | P00784 | Papain, Carpa | 47 | 0.41 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.31 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 2500 | 0.31 | Functional ≤ 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 |
