| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 14 | Yes |
Popular Name: DNC009403 DNC009403
| 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) | 0.71 | -1.26 | -43.87 | 2 | 6 | -1 | 100 | 235.314 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-10-E | Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic | Eukaryotes | 5540 | 0.53 | Binding ≤ 10μM |
| CAH2-11-E | Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic | Eukaryotes | 900 | 0.60 | Binding ≤ 10μM |
| CAH4-12-E | Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic | Eukaryotes | 8400 | 0.51 | Binding ≤ 10μM |
| CAH5B-2-E | Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic | Eukaryotes | 2800 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 900 | 0.60 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 5540 | 0.53 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 900 | 0.60 | Binding ≤ 10μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 8400 | 0.51 | Binding ≤ 10μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 2800 | 0.56 | 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 |
