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)
|
2.70 |
8.44 |
-17.08 |
0 |
6 |
0 |
81 |
359.403 |
6 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MMP13-4-E |
Matrix Metalloproteinase 13 (cluster #4 Of 4), Eukaryotic |
Eukaryotes |
9900 |
0.28 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
MMP13_HUMAN |
P45452
|
Matrix Metalloproteinase 13, Human |
9900 |
0.28 |
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 |
|
No pre-computed analogs available. Try a structural similarity search.
