| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 22 | No |
Popular Name: DNC005021 DNC005021
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) | 3.23 | 6.35 | -10.73 | 2 | 4 | 0 | 65 | 304.378 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.63 | -32.14 | 3 | 4 | 1 | 66 | 305.386 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.61 | -38.83 | 3 | 4 | 1 | 66 | 305.386 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.89 | -81.1 | 4 | 4 | 2 | 67 | 306.394 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.64 | -36.72 | 3 | 4 | 1 | 66 | 305.386 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.91 | -87.48 | 4 | 4 | 2 | 67 | 306.394 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.9 | -93.7 | 4 | 4 | 2 | 67 | 306.394 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 7.17 | -165.99 | 5 | 4 | 3 | 68 | 307.402 | 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 | 3981 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 3980 | 0.34 | 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 |
