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)
|
3.32 |
2.04 |
-13.92 |
3 |
5 |
0 |
83 |
326.348 |
1 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
HIF1A-1-E |
Hypoxia-inducible Factor 1-alpha (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
11 |
0.46 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
HIF1A_HUMAN |
Q16665
|
Hypoxia-inducible Factor 1 Alpha, Human |
10.7 |
0.46 |
Binding ≤ 1μM |
HIF1A_HUMAN |
Q16665
|
Hypoxia-inducible Factor 1 Alpha, Human |
10.7 |
0.46 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Circadian Clock |
|
NOTCH1 Intracellular Domain Regulates Transcription |
|
Oxygen-dependent asparagine hydroxylation of Hypoxia-inducible Factor Alpha |
|
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha |
|
Regulation of gene expression by Hypoxia-inducible Factor |
|
No pre-computed analogs available. Try a structural similarity search.