| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 20 | Yes |
Popular Name: 2-(4-Chlorophenyl)-6-morpholin-4-yl-thiopyran-4-one 2-(4-Chlorophenyl)-6-morpholin-4…
Find On: PubMed — Wikipedia — Google
CAS Number: 500169-20-0
| 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) | 3.82 | -2.46 | -10.09 | 0 | 3 | 0 | 29 | 307.802 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 530 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 530 | 0.44 | Binding ≤ 1μM |
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 530 | 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.