PDB ligand accession: 1IQ
DrugBank: DB04582
PubChem:
ChEMBL:
InChI Key: CABMTIJINOIHOD-QGZVFWFLSA-N
SMILES: CC(C)C1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Quinoline carboxylic acids
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Z8N | Download | Experimental | e1z8nA3 e1z8nA1 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |