| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 24 | Yes |
| 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) | 3.26 | 7.89 | -16.52 | 1 | 5 | 0 | 76 | 319.316 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.16 | 5.87 | -55.85 | 0 | 5 | -1 | 79 | 318.308 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K5-1-E | Mitogen-activated Protein Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K5_HUMAN | Q99683 | Mitogen-activated Protein Kinase Kinase Kinase 5, Human | 500 | 0.37 | Binding ≤ 1μM |
| M3K5_HUMAN | Q99683 | Mitogen-activated Protein Kinase Kinase Kinase 5, Human | 3000 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Oxidative Stress Induced Senescence |
