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)
|
3.26 |
4.54 |
-36.84 |
1 |
12 |
-1 |
190 |
470.424 |
5 |
↓
|
|
Mid
Mid (pH 6-8)
|
3.26 |
4.54 |
-39.34 |
1 |
12 |
-1 |
190 |
470.424 |
5 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PTN1-1-E |
Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
4100 |
0.24 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PTN1_HUMAN |
P18031
|
Protein-tyrosine Phosphatase 1B, Human |
4100 |
0.24 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Growth hormone receptor signaling |
|
|
Integrin alphaIIb beta3 signaling |
|
|
Regulation of IFNA signaling |
|
|
Regulation of IFNG signaling |
|
No pre-computed analogs available. Try a structural similarity search.
