PDB ligand accession: JTU
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YMJMVVCOCCXSSD-GFCCVEGCSA-N
SMILES: CCC(C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Phenylquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JTU | Download | Experimental | e4jtuA1 | TIM beta/alpha-barrel | LigPlot |