| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 33 | Yes |
Popular Name: 4-[[5-(6-ethyl-2-pyridyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzonitrile 4-[[5-(6-ethyl-2-pyridyl)-4-quin…
None
| 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) | 3.64 | 9.81 | -20.54 | 2 | 7 | 0 | 103 | 431.503 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 10.2 | -54.05 | 3 | 7 | 1 | 104 | 432.511 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 47 | 0.31 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 47 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 47 | 0.31 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 47 | 0.31 | Binding ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 47 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Downregulation of TGF-beta receptor signaling | |
| SMAD2/3 MH2 Domain Mutants in Cancer | |
| SMAD2/3 Phosphorylation Motif Mutants in Cancer | |
| TGF-beta receptor signaling activates SMADs | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| TGFBR1 KD Mutants in Cancer | |
| TGFBR1 LBD Mutants in Cancer | |
| TGFBR2 Kinase Domain Mutants in Cancer |
