| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 16 | Yes |
Popular Name: LS-119023 LS-119023
| 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) | 0.52 | -2.34 | -17.39 | 3 | 7 | 0 | 115 | 264.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | -1.85 | -49.6 | 2 | 7 | -1 | 113 | 263.324 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-10-E | Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic | Eukaryotes | 645 | 0.54 | Binding ≤ 10μM |
| CAH2-11-E | Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic | Eukaryotes | 9 | 0.70 | Binding ≤ 10μM |
| CAH4-12-E | Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic | Eukaryotes | 46 | 0.64 | Binding ≤ 10μM |
| CAH5A-2-E | Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic | Eukaryotes | 54 | 0.64 | Binding ≤ 10μM |
| CAH5B-2-E | Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic | Eukaryotes | 54 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 110 | 0.61 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 10 | 0.70 | Binding ≤ 1μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 185 | 0.59 | Binding ≤ 1μM |
| CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 54 | 0.64 | Binding ≤ 1μM |
| CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 54 | 0.64 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 110 | 0.61 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 10 | 0.70 | Binding ≤ 10μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 185 | 0.59 | Binding ≤ 10μM |
| CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 54 | 0.64 | Binding ≤ 10μM |
| CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 54 | 0.64 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
