| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2008 | 21 | No |
Popular Name: 2-[(3Z)-2-oxo-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)indolin-1-yl]acetic 2-[(3Z)-2-oxo-3-(4-oxo-2-thioxo-…
| 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) | 1.36 | 4.37 | -94.74 | 0 | 6 | -2 | 98 | 318.335 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APEX1-1-E | DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APEX1_HUMAN | P27695 | DNA-(apurinic Or Apyrimidinic Site) Lyase, Human | 9000 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Base-free sugar-phosphate removal via the single-nucleotide replacement pathway | |
| Displacement of DNA glycosylase by APE1 | |
| Removal of DNA patch containing abasic residue | |
| Resolution of AP sites via the multiple-nucleotide patch replacement pathway |
