| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
| 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) | 1.56 | -0.52 | -41.94 | 2 | 6 | -1 | 108 | 329.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | -0.56 | -15.2 | 3 | 6 | 0 | 106 | 330.362 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 40 | 0.49 | Binding ≤ 10μM |
| CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 9 | 0.54 | Binding ≤ 10μM |
| CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 15 | 0.52 | Binding ≤ 10μM |
| CAH5A-1-E | Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic | Eukaryotes | 20 | 0.51 | Binding ≤ 10μM |
| CAH5B-1-E | Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic | Eukaryotes | 20 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 40 | 0.49 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 9 | 0.54 | Binding ≤ 1μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 15 | 0.52 | Binding ≤ 1μM |
| CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 20 | 0.51 | Binding ≤ 1μM |
| CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 20 | 0.51 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 40 | 0.49 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 9 | 0.54 | Binding ≤ 10μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 15 | 0.52 | Binding ≤ 10μM |
| CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 20 | 0.51 | Binding ≤ 10μM |
| CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 20 | 0.51 | 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 |
