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)
|
3.06 |
9.92 |
-62.93 |
5 |
6 |
1 |
95 |
444.555 |
10 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.06 |
9.6 |
-20.05 |
4 |
6 |
0 |
93 |
443.547 |
10 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KDM1A-1-E |
Lysine-specific Histone Demethylase 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2000 |
0.24 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KDM1A_HUMAN |
O60341
|
Lysine-specific Histone Demethylase 1, Human |
2000 |
0.24 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Factors involved in megakaryocyte development and platelet production |
|
|
HDACs deacetylate histones |
|
|
HDMs demethylate histones |
|
No pre-computed analogs available. Try a structural similarity search.
