| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 23 | No |
Popular Name: 4-(4-chloro-2-pyridyl)-5-(4-quinolyl)thiazol-2-amine 4-(4-chloro-2-pyridyl)-5-(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) | 3.79 | 7.74 | -10.35 | 2 | 4 | 0 | 65 | 338.823 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 8.02 | -33.73 | 3 | 4 | 1 | 66 | 339.831 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 7.96 | -36.76 | 3 | 4 | 1 | 66 | 339.831 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 8.24 | -80.7 | 4 | 4 | 2 | 67 | 340.839 | 2 | ↓ |
| 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 | 1023 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 1020 | 0.36 | Binding ≤ 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 |
