| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 14 | Yes |
Popular Name: 6-chloro-9H-beta-carboline 6-chloro-9H-beta-carboline
Find On: PubMed — Wikipedia — Google
CAS Number: 30684-46-9
| 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) | 3.03 | 5.44 | -5.74 | 1 | 2 | 0 | 29 | 202.644 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 5.74 | -35.56 | 2 | 2 | 1 | 30 | 203.652 | 0 | ↓ |
| 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 | 600 | 0.62 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 600 | 0.62 | Binding ≤ 1μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 600 | 0.62 | Binding ≤ 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 | |
| NOD1/2 Signaling Pathway | |
| 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.