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)
|
1.66 |
6.44 |
-54.17 |
1 |
6 |
-1 |
96 |
348.4 |
7 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MMP9-1-E |
Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1100 |
0.35 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MMP9_HUMAN |
P14780
|
Matrix Metalloproteinase 9, Human |
1100 |
0.35 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Activation of Matrix Metalloproteinases |
|
|
Assembly of collagen fibrils and other multimeric structures |
|
|
Collagen degradation |
|
|
Degradation of the extracellular matrix |
|
|
EPH-ephrin mediated repulsion of cells |
|
|
Signaling by SCF-KIT |
|
No pre-computed analogs available. Try a structural similarity search.
