PDB ligand accession: IM3
DrugBank: DB07979
PubChem: n/a
ChEMBL: n/a
InChI Key: VFINRVRRNHRWEQ-UXBLZVDNSA-N
SMILES: [H]N=C(Cc1ccc(c(c1)O)O)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Phenylpropanoic acids
- Subclass: None
- Class: Phenylpropanoic acids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2E82 | Download | Experimental | e2e82A1 e2e82A2 e2e82B1 e2e82B2 e2e82C1 e2e82C2 e2e82D1 e2e82D2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |