| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 21 | Yes |
Popular Name: DNA-PKInhibitorV DNA-PKInhibitorV
Find On: PubMed — Wikipedia — Google
CAS Number: 404009-46-7
| 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 | 5.09 | -9.09 | 1 | 4 | 0 | 50 | 283.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 5.87 | -51.24 | 0 | 4 | -1 | 53 | 282.319 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 270 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 270 | 0.44 | Binding ≤ 1μM |
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 270 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cytosolic sensors of pathogen-associated DNA | |
| IRF3-mediated induction of type I IFN | |
| Nonhomologous End-joining (NHEJ) | |
| Processing of DNA ends prior to end rejoining |
No pre-computed analogs available. Try a structural similarity search.