| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 16 | No |
Popular Name: 4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid 4-(2,4-Dichloro-phenyl)-2,4-diox…
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CAS Number: 105356-70-5
| 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) | 1.43 | 8.43 | -47.24 | 0 | 4 | -1 | 74 | 260.052 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERCC5-2-E | DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9850 | 0.44 | Binding ≤ 10μM |
| FEN1-2-E | Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5530 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERCC5_HUMAN | P28715 | DNA Excision Repair Protein ERCC-5, Human | 9850 | 0.44 | Binding ≤ 10μM |
| FEN1_HUMAN | P39748 | Flap Endonuclease 1, Human | 5530 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dual incision reaction in GG-NER | |
| Dual incision reaction in TC-NER | |
| Formation of incision complex in GG-NER | |
| Formation of transcription-coupled NER (TC-NER) repair complex | |
| Removal of DNA patch containing abasic residue | |
| Removal of the Flap Intermediate | |
| Removal of the Flap Intermediate from the C-strand |
No pre-computed analogs available. Try a structural similarity search.