In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2009 | 38 | No |
None
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) | 6.15 | 7.62 | -13.64 | 4 | 6 | 0 | 109 | 609.671 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1-4-E | Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic | Eukaryotes | 120 | 0.25 | Binding ≤ 10μM |
CAH2-5-E | Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic | Eukaryotes | 21 | 0.28 | Binding ≤ 10μM |
CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 53 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 120 | 0.25 | Binding ≤ 1μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 21 | 0.28 | Binding ≤ 1μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 53 | 0.27 | Binding ≤ 1μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 120 | 0.25 | Binding ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 21 | 0.28 | Binding ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 53 | 0.27 | 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 |