PDB ligand accession: 0TU
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OJEBWFGRUPIVSD-UHFFFAOYSA-N
SMILES: c1cc2c(cc1Cl)C=CC(=O)N2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Quinolones and derivatives
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4CR5 | Download | Experimental | e4cr5A1 | cradle loop barrel | LigPlot |