| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
Popular Name: (4-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine (4-methyl-2-pyridyl)-[4-(2-pyrid…
| 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) | 3.01 | 7.91 | -9.82 | 1 | 4 | 0 | 51 | 268.345 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 8.04 | -74.99 | 3 | 4 | 2 | 53 | 270.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 8.17 | -33 | 2 | 4 | 1 | 52 | 269.353 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 7.78 | -31.16 | 2 | 4 | 1 | 52 | 269.353 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNN1-1-E | Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.62 | Binding ≤ 10μM |
| KCNN2-1-E | Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 59 | 0.53 | Binding ≤ 10μM |
| KCNN3-1-E | Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 59 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNN1_HUMAN | Q92952 | Small Conductance Calcium-activated Potassium Channel Protein 1, Human | 4 | 0.62 | Binding ≤ 1μM |
| KCNN2_HUMAN | Q9H2S1 | Small Conductance Calcium-activated Potassium Channel Protein 2, Human | 11 | 0.59 | Binding ≤ 1μM |
| KCNN3_HUMAN | Q9UGI6 | Small Conductance Calcium-activated Potassium Channel Protein 3, Human | 4 | 0.62 | Binding ≤ 1μM |
| KCNN1_HUMAN | Q92952 | Small Conductance Calcium-activated Potassium Channel Protein 1, Human | 4 | 0.62 | Binding ≤ 10μM |
| KCNN2_HUMAN | Q9H2S1 | Small Conductance Calcium-activated Potassium Channel Protein 2, Human | 11 | 0.59 | Binding ≤ 10μM |
| KCNN3_HUMAN | Q9UGI6 | Small Conductance Calcium-activated Potassium Channel Protein 3, Human | 4 | 0.62 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ca2+ activated K+ channels |
