| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 26 | No |
Popular Name: (S)-3-(Pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate (S)-3-(Pyridin-3-yl)propyl 1-(3,…
Find On: PubMed — Wikipedia — Google
CAS Number: 186452-09-5
| 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) | 2.21 | 2.36 | -12.12 | 0 | 6 | 0 | 76 | 360.454 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 2.48 | -40.9 | 1 | 6 | 1 | 77 | 361.462 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FKB1A-1-E | FK506-binding Protein 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FKB1A_HUMAN | P62942 | FK506-binding Protein 1A, Human | 7.5 | 0.44 | Binding ≤ 1μM |
| FKB1A_HUMAN | P62942 | FK506-binding Protein 1A, Human | 7.5 | 0.44 | 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 |
