In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 20 | Yes |
Popular Name: (8-benzyloxy-2-methyl-imidazo[3,2-a]pyridin-3-yl)methanol (8-benzyloxy-2-methyl-imidazo[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) | 2.70 | 6.04 | -15.7 | 1 | 4 | 0 | 47 | 268.316 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 6.47 | -27.19 | 2 | 4 | 1 | 48 | 269.324 | 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 | 530 | 0.44 | Binding ≤ 10μM |
ATP4B-1-E | Potassium-transporting ATPase Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 530 | 0.44 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 530 | 0.44 | Binding ≤ 1μM |
ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 530 | 0.44 | Binding ≤ 1μM |
ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 2200 | 0.40 | Binding ≤ 10μM |
ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 2200 | 0.40 | Binding ≤ 10μM |
Description | Species |
---|---|
Ion transport by P-type ATPases |