| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2008 | 21 | No |
Popular Name: ISOGRANULATIMIDE ISOGRANULATIMIDE
Find On: PubMed — Wikipedia — Google
CAS Number: 244148-46-7
| 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) | 1.55 | 5.93 | -10.93 | 2 | 6 | 0 | 83 | 276.255 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 6.42 | -44.52 | 3 | 6 | 1 | 84 | 277.263 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK1-1-E | Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 440 | 0.42 | Binding ≤ 10μM |
| CHK2-1-E | Serine/threonine-protein Kinase Chk2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.37 | Binding ≤ 10μM |
| E2AK2-1-E | Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.47 | Binding ≤ 10μM |
| GSK3B-4-E | Glycogen Synthase Kinase-3 Beta (cluster #4 Of 7), Eukaryotic | Eukaryotes | 500 | 0.42 | Binding ≤ 10μM |
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 10000 | 0.33 | Functional ≤ 10μM |
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 1000 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 500 | 0.42 | Binding ≤ 1μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 100 | 0.47 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 100 | 0.47 | Binding ≤ 1μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 10000 | 0.33 | Binding ≤ 10μM |
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 10000 | 0.33 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 500 | 0.42 | Binding ≤ 10μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 100 | 0.47 | Binding ≤ 10μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 100 | 0.47 | Binding ≤ 10μM |
| CHK2_HUMAN | O96017 | Serine/threonine-protein Kinase Chk2, Human | 3000 | 0.37 | Binding ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 10000 | 0.33 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 1000 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin B2 mediated events | |
| Cytosolic sensors of pathogen-associated DNA | |
| Degradation of beta-catenin by the destruction complex | |
| Depolymerisation of the Nuclear Lamina | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| ERK1 activation | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2/M DNA damage checkpoint | |
| G2/M DNA replication checkpoint | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Inhibition of PKR | |
| IRF3-mediated induction of type I IFN | |
| ISG15 antiviral mechanism | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Nonhomologous End-joining (NHEJ) | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| Processing of DNA ends prior to end rejoining | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| Signaling by SCF-KIT | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
No pre-computed analogs available. Try a structural similarity search.
