| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 21 | Yes |
Popular Name: 2-(2-methyl-8-phenethyl-imidazo[3,2-a]pyridin-3-yl)acetonitrile 2-(2-methyl-8-phenethyl-imidazo[…
| 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) | 3.66 | 11.79 | -14.98 | 0 | 3 | 0 | 41 | 275.355 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 12.23 | -36.92 | 1 | 3 | 1 | 42 | 276.363 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATP4A-1-E | Potassium-transporting ATPase Alpha Chain 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.38 | Binding ≤ 10μM |
| ATP4B-1-E | Potassium-transporting ATPase Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 130 | 0.46 | Binding ≤ 1μM |
| ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 130 | 0.46 | Binding ≤ 1μM |
| ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 130 | 0.46 | Binding ≤ 10μM |
| ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 130 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ion transport by P-type ATPases |
