| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 35 | 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) | 4.88 | 16.15 | -47.35 | 2 | 6 | 1 | 63 | 484.649 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | IKK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKA-2-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 70 | 0.29 | Binding ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 70 | 0.29 | Binding ≤ 10μM |
| NEMO-1-E | NF-kappa-B Essential Modulator (cluster #1 Of 1), Eukaryotic | Eukaryotes | 70 | 0.29 | Binding ≤ 10μM |
| IKKA-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.25 | Functional ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.25 | Functional ≤ 10μM |
| JAK1-1-E | Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.23 | Functional ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.23 | Functional ≤ 10μM |
| NEMO-1-E | NF-kappa-B Essential Modulator (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.25 | Functional ≤ 10μM |
| Z100081-2-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other | Other | 300 | 0.26 | 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 | 200 | 0.27 | Binding ≤ 1μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 40 | 0.30 | Binding ≤ 1μM |
| NEMO_HUMAN | Q9Y6K9 | NF-kappa-B Essential Modulator, Human | 70 | 0.29 | Binding ≤ 1μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 200 | 0.27 | Binding ≤ 10μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 40 | 0.30 | Binding ≤ 10μM |
| NEMO_HUMAN | Q9Y6K9 | NF-kappa-B Essential Modulator, Human | 70 | 0.29 | Binding ≤ 10μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 1000 | 0.24 | Functional ≤ 10μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 1000 | 0.24 | Functional ≤ 10μM |
| NEMO_HUMAN | Q9Y6K9 | NF-kappa-B Essential Modulator, Human | 1000 | 0.24 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 300 | 0.26 | Functional ≤ 10μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 2000 | 0.23 | Functional ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 2000 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of NF-kappaB in B cells | |
| AKT phosphorylates targets in the cytosol | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream TCR signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| Growth hormone receptor signaling | |
| IKK complex recruitment mediated by RIP1 | |
| Interferon alpha/beta signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-1 signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| IRAK1 recruits IKK complex | |
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |
| ISG15 antiviral mechanism | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| 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 | |
| Prolactin receptor signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| RIP-mediated NFkB activation via ZBP1 | |
| RMTs methylate histone arginines | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| 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.