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)
|
1.31 |
3.09 |
-8.94 |
2 |
4 |
0 |
65 |
202.242 |
0 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
CDC7-1-E |
Cell Division Cycle 7-related Protein Kinase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1200 |
0.59 |
Binding ≤ 10μM
|
|
LIMK1-1-E |
LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.50 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
CDC7_HUMAN |
O00311
|
Cell Division Cycle 7-related Protein Kinase, Human |
1200 |
0.59 |
Binding ≤ 10μM
|
|
LIMK1_HUMAN |
P53667
|
LIM Domain Kinase 1, Human |
9000 |
0.50 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Activation of ATR in response to replication stress |
|
|
Activation of the pre-replicative complex |
|
|
EPHB-mediated forward signaling |
|
|
Regulation of actin dynamics for phagocytic cup formation |
|
|
Sema3A PAK dependent Axon repulsion |
|
|
Sema4D induced cell migration and growth-cone collapse |
|
No pre-computed analogs available. Try a structural similarity search.
