| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 25 | No |
Popular Name: (L-3-TRANS-CARBOXYOXIRANE-2-CARBONYL)-L-LEUCYLAGMATINE HEMIHYDRATE (L-3-TRANS-CARBOXYOXIRANE-2-CARB…
Find On: PubMed — Wikipedia — Google
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) | -1.50 | -8.12 | -72.39 | 7 | 10 | 0 | 176 | 357.411 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9NAW2-1-E | Falcipain 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 112 | 0.39 | Binding ≤ 10μM |
| Q9NAW4-1-E | Cysteine Protease Falcipain-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 482 | 0.35 | Binding ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 5880 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9NAW4_PLAFA | Q9NAW4 | Cysteine Protease Falcipain-3, Plafa | 481.5 | 0.35 | Binding ≤ 1μM |
| Q9NAW2_PLAFA | Q9NAW2 | Falcipain 2, Plafa | 111.7 | 0.39 | Binding ≤ 1μM |
| Q9NAW4_PLAFA | Q9NAW4 | Cysteine Protease Falcipain-3, Plafa | 481.5 | 0.35 | Binding ≤ 10μM |
| Q9NAW2_PLAFA | Q9NAW2 | Falcipain 2, Plafa | 111.7 | 0.39 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1940 | 0.32 | Functional ≤ 10μM |
