| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 20 | No |
Popular Name: (S)-Ethyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (S)-Ethyl 1-(3,3-dimethyl-2-oxop…
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CAS Number: 152754-33-1
| 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) | 2.00 | 8.24 | -8.13 | 0 | 5 | 0 | 64 | 283.368 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FKB1A-1-E | FK506-binding Protein 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.41 | Binding ≤ 10μM |
| Q8QGU2-1-E | FK506 Binding Protein 12 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8QGU2_CHICK | Q8QGU2 | FK506 Binding Protein 12, Chick | 1300 | 0.41 | Binding ≤ 10μM |
| FKB1A_HUMAN | P62942 | FK506-binding Protein 1A, Human | 1300 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| 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 |
