PDB ligand accession: EAA
DrugBank: DB00903
PubChem:
ChEMBL:
InChI Key: AVOLMBLBETYQHX-UHFFFAOYSA-N
SMILES: CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenoxyacetic acid derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3KMO | Download | Experimental | e3kmoA1 e3kmoA2 e3kmoB1 e3kmoB2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 3GSS | Download | Experimental | e3gssA2 e3gssA1 e3gssB2 e3gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3HJO | Download | Experimental | e3hjoA1 e3hjoA2 e3hjoB1 e3hjoB2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 3N9J | Download | Experimental | e3n9jA3 e3n9jA4 e3n9jB3 e3n9jB4 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 2GSS | Download | Experimental | e2gssA2 e2gssA1 e2gssB2 e2gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3KM6 | Download | Experimental | e3km6A1 e3km6A2 e3km6B1 e3km6B2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 11GS | Download | Experimental | e11gsA2 e11gsA1 e11gsB2 e11gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3DGQ | Download | Experimental | e3dgqA1 e3dgqA2 | Repetitive alpha hairpins Thioredoxin-like | LigPlot |