| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 27 | Yes |
Popular Name: 2-[2-(p-tolyl)ethynyl]-3-(2-pyrrolidin-1-ylethoxy)quinoxaline 2-[2-(p-tolyl)ethynyl]-3-(2-pyrr…
| 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) | 4.46 | 10.94 | -36.68 | 1 | 4 | 1 | 39 | 358.465 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 8.5 | -9.93 | 0 | 4 | 0 | 38 | 357.457 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTNB1-2-E | Catenin Beta-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1320 | 0.30 | Binding ≤ 10μM |
| WNT2-1-E | Protein Wnt-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1320 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTNB1_HUMAN | P35222 | Catenin Beta-1, Human | 1320 | 0.30 | Binding ≤ 10μM |
| WNT2_HUMAN | P09544 | Protein Wnt-2, Human | 1320 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| binding of TCF/LEF:CTNNB1 to target gene promoters | |
| Ca2+ pathway | |
| CDO in myogenesis | |
| Class B/2 (Secretin family receptors) | |
| deactivation of the beta-catenin transactivating complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| formation of the beta-catenin:TCF transactivating complex | |
| LRR FLII-interacting protein 1 (LRRFIP1) activates type I IFN production | |
| repression of WNT target genes | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| TCF dependent signaling in response to WNT | |
| WNT ligand biogenesis and trafficking |
No pre-computed analogs available. Try a structural similarity search.
