| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 27 | Yes |
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CAS Numbers: 406209-26-5 , [406209-26-5]
| 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) | 2.47 | 6.53 | -49.9 | 5 | 6 | 1 | 109 | 365.457 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKA-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 250 | 0.34 | Binding ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.42 | Binding ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 96 | 0.36 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 40 | 0.38 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 130 | 0.36 | Functional ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 30 | 0.39 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 147 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 250 | 0.34 | Binding ≤ 1μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 8.5 | 0.42 | Binding ≤ 1μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 250 | 0.34 | Binding ≤ 10μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 8.5 | 0.42 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 40 | 0.38 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 130 | 0.36 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 30 | 0.39 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 10000 | 0.26 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 45 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| AKT phosphorylates targets in the cytosol | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream TCR signaling | |
| FCERI mediated NF-kB activation | |
| IKK complex recruitment mediated by RIP1 | |
| Interleukin-1 signaling | |
| IRAK1 recruits IKK complex | |
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |
| NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 | |
| NF-kB is activated and signals survival | |
| NOD1/2 Signaling Pathway | |
| p75NTR recruits signalling complexes | |
| RIP-mediated NFkB activation via ZBP1 | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation |
No pre-computed analogs available. Try a structural similarity search.