| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 17 | Yes |
Popular Name: 4-[[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoic acid 4-[[5-(aminosulfonyl)-1,3,4-thia…
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CAS Number: 78851-85-1
| 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) | -1.40 | -2.86 | -52.35 | 3 | 9 | -1 | 155 | 279.279 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.40 | -2.37 | -92.86 | 2 | 9 | -2 | 153 | 278.271 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-10-E | Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH10-2-E | Carbonic Anhydrase-related Protein 10 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH11-2-E | Carbonic Anhydrase-related Protein 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH12-8-E | Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH13-2-E | Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH14-7-E | Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH2-11-E | Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH3-5-E | Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH4-12-E | Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH5A-2-E | Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH5B-2-E | Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH6-1-E | Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH7-7-E | Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH8-2-E | Carbonic Anhydrase-related Protein 8 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| CAH9-10-E | Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic | Eukaryotes | 550 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH3_HUMAN | P07451 | Carbonic Anhydrase III, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH13_HUMAN | Q8N1Q1 | Carbonic Anhydrase XIII, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH10_HUMAN | Q9NS85 | Carbonic Anhydrase-related Protein 10, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH11_HUMAN | O75493 | Carbonic Anhydrase-related Protein 2, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH8_HUMAN | P35219 | Carbonic Anhydrase-related Protein 8, Human | 550 | 0.52 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH3_HUMAN | P07451 | Carbonic Anhydrase III, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH13_HUMAN | Q8N1Q1 | Carbonic Anhydrase XIII, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH10_HUMAN | Q9NS85 | Carbonic Anhydrase-related Protein 10, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH11_HUMAN | O75493 | Carbonic Anhydrase-related Protein 2, Human | 550 | 0.52 | Binding ≤ 10μM |
| CAH8_HUMAN | P35219 | Carbonic Anhydrase-related Protein 8, Human | 550 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
