PDB ligand accession: BE2
DrugBank: DB04166
PubChem: 227;3734162;
ChEMBL:
InChI Key: RWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C(=O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2E4A | Download | Experimental | e2e4aA1 e2e4aA2 e2e4aB1 e2e4aB2 e2e4aC1 e2e4aC2 e2e4aD1 e2e4aD2 | 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 |