| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 21 | Yes |
Popular Name: 5-bromo-N-(2-methyl-8-quinolyl)thiophene-2-sulfonamide 5-bromo-N-(2-methyl-8-quinolyl)t…
| 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) | 3.59 | 5.69 | -32.81 | 1 | 4 | 0 | 62 | 383.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 5.24 | -49.33 | 0 | 4 | -1 | 61 | 382.284 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKBA-1-E | NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6400 | 0.35 | Binding ≤ 10μM |
| TF65-3-E | Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1400 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKBA_HUMAN | P25963 | NF-kappaB Inhibitor Alpha, Human | 6100 | 0.35 | Binding ≤ 10μM |
| TF65_HUMAN | Q04206 | Nuclear Factor NF-kappa-B P65 Subunit, Human | 1400 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| DEx/H-box helicases activate type I IFN and inflammatory cytokines production | |
| Downstream TCR signaling | |
| FCERI mediated NF-kB activation | |
| Interleukin-1 processing | |
| NF-kB is activated and signals survival | |
| Regulated proteolysis of p75NTR | |
| RIP-mediated NFkB activation via ZBP1 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation | |
| Transcriptional regulation of white adipocyte differentiation |
