| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 25 | Yes |
Popular Name: 4-[(7,7-dimethyl-2-oxo-norbornan-1-yl)methylsulfonylamino]benzenesulfonamide 4-[(7,7-dimethyl-2-oxo-norbornan…
| 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) | 1.17 | 1.9 | -56.57 | 2 | 7 | -1 | 125 | 385.487 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 1241 | 0.33 | Binding ≤ 10μM |
| CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 1207 | 0.33 | Binding ≤ 10μM |
| CAH5A-9-E | Carbonic Anhydrase VA (cluster #9 Of 10), Eukaryotic | Eukaryotes | 17 | 0.44 | Binding ≤ 10μM |
| CAH5B-9-E | Carbonic Anhydrase VB (cluster #9 Of 9), Eukaryotic | Eukaryotes | 26 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 17.1 | 0.43 | Binding ≤ 1μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 26.4 | 0.42 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 1241 | 0.33 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 1207 | 0.33 | Binding ≤ 10μM |
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 17.1 | 0.43 | Binding ≤ 10μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 26.4 | 0.42 | 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 |
