In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 18 | Yes |
Popular Name: Ethyl 6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylate Ethyl 6-(hydroxymethyl)-2-oxo-2H…
Find On: PubMed — Wikipedia — Google
CAS Number: 176770-20-0
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) | 1.46 | 5.04 | -12.82 | 1 | 5 | 0 | 77 | 248.234 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH13-1-E | Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic | Eukaryotes | 47 | 0.57 | Binding ≤ 10μM |
CAH14-4-E | Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic | Eukaryotes | 41 | 0.57 | Binding ≤ 10μM |
CAH15-4-E | Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 46 | 0.57 | Binding ≤ 10μM |
CAH4-14-E | Carbonic Anhydrase IV (cluster #14 Of 16), Eukaryotic | Eukaryotes | 9100 | 0.39 | Binding ≤ 10μM |
CAH5B-4-E | Carbonic Anhydrase VB (cluster #4 Of 9), Eukaryotic | Eukaryotes | 7800 | 0.40 | Binding ≤ 10μM |
CAH6-8-E | Carbonic Anhydrase VI (cluster #8 Of 8), Eukaryotic | Eukaryotes | 6700 | 0.40 | Binding ≤ 10μM |
CAH9-11-E | Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic | Eukaryotes | 6200 | 0.41 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 46 | 0.57 | Binding ≤ 1μM |
CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 47 | 0.57 | Binding ≤ 1μM |
CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 41 | 0.57 | Binding ≤ 1μM |
CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 46 | 0.57 | Binding ≤ 10μM |
CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 9100 | 0.39 | Binding ≤ 10μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 6200 | 0.41 | Binding ≤ 10μM |
CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 7800 | 0.40 | Binding ≤ 10μM |
CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 6700 | 0.40 | Binding ≤ 10μM |
CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 47 | 0.57 | Binding ≤ 10μM |
CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 41 | 0.57 | 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 |