| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2009 | 25 | Yes |
Popular Name: 4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl]quinolin-7-amine 4-[2-(2-pyridyl)-5,6-dihydro-4H-…
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) | 2.48 | 6.92 | -14.16 | 2 | 5 | 0 | 70 | 327.391 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 7.35 | -33.19 | 3 | 5 | 1 | 71 | 328.399 | 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 | 59 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 59 | 0.40 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 59 | 0.40 | 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 |
