Physical Representations
|
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)
|
2.44 |
7.29 |
-11.51 |
0 |
5 |
0 |
64 |
311.403 |
6 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
FKB1A-1-E |
FK506-binding Protein 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2600 |
0.37 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
FKB1A_HUMAN |
P62942
|
FK506-binding Protein 1A, Human |
2600 |
0.37 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| 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 |
|
No pre-computed analogs available. Try a structural similarity search.
