| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2005 | 27 | Yes |
Popular Name: 1-NaphthylacetylSpermine 1-NaphthylacetylSpermine
Find On: PubMed — Wikipedia — Google
CAS Number: 122306-11-0
| 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) | 1.14 | -6.49 | -193.13 | 8 | 5 | 3 | 89 | 373.565 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH12-4-E | Carbonic Anhydrase XII (cluster #4 Of 9), Eukaryotic | Eukaryotes | 190 | 0.35 | Binding ≤ 10μM |
| CAH14-8-E | Carbonic Anhydrase XIV (cluster #8 Of 8), Eukaryotic | Eukaryotes | 1030 | 0.31 | Binding ≤ 10μM |
| CAH15-1-E | Carbonic Anhydrase 15 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 780 | 0.32 | Binding ≤ 10μM |
| CAH2-4-E | Carbonic Anhydrase II (cluster #4 Of 15), Eukaryotic | Eukaryotes | 1130 | 0.31 | Binding ≤ 10μM |
| CAH4-5-E | Carbonic Anhydrase IV (cluster #5 Of 16), Eukaryotic | Eukaryotes | 18 | 0.40 | Binding ≤ 10μM |
| CAH5A-10-E | Carbonic Anhydrase VA (cluster #10 Of 10), Eukaryotic | Eukaryotes | 1030 | 0.31 | Binding ≤ 10μM |
| CAH5B-6-E | Carbonic Anhydrase VB (cluster #6 Of 9), Eukaryotic | Eukaryotes | 1050 | 0.31 | Binding ≤ 10μM |
| CAH6-4-E | Carbonic Anhydrase VI (cluster #4 Of 8), Eukaryotic | Eukaryotes | 110 | 0.36 | Binding ≤ 10μM |
| CAH7-4-E | Carbonic Anhydrase VII (cluster #4 Of 8), Eukaryotic | Eukaryotes | 100 | 0.36 | Binding ≤ 10μM |
| CAH9-5-E | Carbonic Anhydrase IX (cluster #5 Of 11), Eukaryotic | Eukaryotes | 120 | 0.36 | Binding ≤ 10μM |
| GRIA1-1-E | Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 690 | 0.32 | Functional ≤ 10μM |
| GRIA2-4-E | Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 690 | 0.32 | Functional ≤ 10μM |
| GRIA3-2-E | Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 690 | 0.32 | Functional ≤ 10μM |
| GRIA4-3-E | Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 690 | 0.32 | Functional ≤ 10μM |
| Z81252-6-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #6 Of 11), Other | Other | 178 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 780 | 0.32 | Binding ≤ 1μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 18 | 0.40 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 120 | 0.36 | Binding ≤ 1μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 110 | 0.36 | Binding ≤ 1μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 100 | 0.36 | Binding ≤ 1μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 190 | 0.35 | Binding ≤ 1μM |
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 780 | 0.32 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 1130 | 0.31 | Binding ≤ 10μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 18 | 0.40 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 120 | 0.36 | Binding ≤ 10μM |
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 1030 | 0.31 | Binding ≤ 10μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 1050 | 0.31 | Binding ≤ 10μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 110 | 0.36 | Binding ≤ 10μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 100 | 0.36 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 190 | 0.35 | Binding ≤ 10μM |
| CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 1030 | 0.31 | Binding ≤ 10μM |
| GRIA1_MOUSE | P23818 | Glutamate Receptor Ionotropic, AMPA 1, Mouse | 690 | 0.32 | Functional ≤ 10μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 690 | 0.32 | Functional ≤ 10μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 690 | 0.32 | Functional ≤ 10μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 690 | 0.32 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 178 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of AMPA receptors | |
| 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 | |
| Trafficking of GluR2-containing AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation |
