In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 19 | Yes |
Popular Name: 2-methylamino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide 2-methylamino-N-(2-sulfamoyl-1,3…
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) | 0.66 | -2.84 | -58.17 | 5 | 7 | 1 | 119 | 301.373 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.66 | -2.39 | -87.06 | 4 | 7 | 0 | 116 | 300.365 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1-1-E | Carbonic Anhydrase I (cluster #1 Of 12), Eukaryotic | Eukaryotes | 10 | 0.59 | Binding ≤ 10μM |
CAH2-1-E | Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic | Eukaryotes | 5 | 0.61 | Binding ≤ 10μM |
CAH4-12-E | Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic | Eukaryotes | 14 | 0.58 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 10 | 0.59 | Binding ≤ 1μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 5 | 0.61 | Binding ≤ 1μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 14 | 0.58 | Binding ≤ 1μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 10 | 0.59 | Binding ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 5 | 0.61 | Binding ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 14 | 0.58 | 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 |