| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 31 | Yes |
Popular Name: 4-[[4-(4-carboxylatophenyl)sulfonylphenyl]thio]phthalate 4-[[4-(4-carboxylatophenyl)sulfo…
| 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) | 3.73 | 11.44 | -194.38 | 0 | 8 | -3 | 155 | 455.445 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 9.46 | -111.23 | 1 | 8 | -2 | 152 | 456.453 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APEX1-2-E | DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6000 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APEX1_HUMAN | P27695 | DNA-(apurinic Or Apyrimidinic Site) Lyase, Human | 6000 | 0.24 | 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 |
