| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 27 | Yes |
Popular Name: KU55933 KU55933
Find On: PubMed — Wikipedia — Google
CAS Numbers: 587871-26-9 , [587871-26-9]
2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one
2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one
| 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) | 5.27 | -3.12 | -13.35 | 0 | 4 | 0 | 42 | 395.505 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | ATM | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATM-1-E | Serine-protein Kinase ATM (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.45 | Binding ≤ 10μM |
| MTOR-1-E | Serine/threonine-protein Kinase MTOR (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9300 | 0.26 | Binding ≤ 10μM |
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2500 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATM_HUMAN | Q13315 | Serine-protein Kinase ATM, Human | 13 | 0.41 | Binding ≤ 1μM |
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 1800 | 0.30 | Binding ≤ 10μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 9300 | 0.26 | Binding ≤ 10μM |
| ATM_HUMAN | Q13315 | Serine-protein Kinase ATM, Human | 13 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ATM mediated phosphorylation of repair proteins | |
| ATM mediated response to DNA double-strand break | |
| Autodegradation of the E3 ubiquitin ligase COP1 | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Cytosolic sensors of pathogen-associated DNA | |
| DNA Damage/Telomere Stress Induced Senescence | |
| G2/M DNA damage checkpoint | |
| HSF1-dependent transactivation | |
| IRF3-mediated induction of type I IFN | |
| Meiotic recombination | |
| mTOR signalling | |
| Nonhomologous End-joining (NHEJ) | |
| PIP3 activates AKT signaling | |
| Processing of DNA ends prior to end rejoining | |
| Recruitment of repair and signaling proteins to double-strand breaks | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of the Fanconi anemia pathway | |
| Release of eIF4E | |
| S6K1-mediated signalling | |
| Stabilization of p53 | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.