| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
| 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) | 2.61 | 6.16 | -45.72 | 3 | 5 | 1 | 72 | 323.763 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 5.68 | -11.11 | 2 | 5 | 0 | 71 | 322.755 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKA-3-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #3 Of 3), Eukaryotic | Eukaryotes | 100 | 0.43 | Binding ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.40 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.36 | Binding ≤ 10μM |
| PIM3-1-E | Serine/threonine-protein Kinase PIM3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 880 | 0.37 | Binding ≤ 10μM |
| IKKA-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.42 | Functional ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.42 | Functional ≤ 10μM |
| IKKE-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Epsilon Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.42 | Functional ≤ 10μM |
| NEMO-1-E | NF-kappa-B Essential Modulator (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.32 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 5000 | 0.32 | 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 | 100 | 0.43 | Binding ≤ 1μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 150 | 0.42 | Binding ≤ 1μM |
| PIM3_HUMAN | Q86V86 | Serine/threonine-protein Kinase PIM3, Human | 880 | 0.37 | Binding ≤ 1μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 100 | 0.43 | Binding ≤ 10μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 150 | 0.42 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 1100 | 0.36 | Binding ≤ 10μM |
| PIM3_HUMAN | Q86V86 | Serine/threonine-protein Kinase PIM3, Human | 880 | 0.37 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 5000 | 0.32 | Functional ≤ 10μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 150 | 0.42 | Functional ≤ 10μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 150 | 0.42 | Functional ≤ 10μM |
| IKKE_HUMAN | Q14164 | Inhibitor Of Nuclear Factor Kappa B Kinase Epsilon Subunit, Human | 150 | 0.42 | Functional ≤ 10μM |
| NEMO_HUMAN | Q9Y6K9 | NF-kappa-B Essential Modulator, Human | 150 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon | |
| 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 | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| Negative regulators of RIG-I/MDA5 signaling | |
| 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 | |
| TRAF3-dependent IRF activation pathway | |
| TRAF6 mediated IRF7 activation | |
| TRAF6 mediated NF-kB activation |
No pre-computed analogs available. Try a structural similarity search.