PDB ligand accession: 3NA
DrugBank: DB07063
PubChem:
ChEMBL:
InChI Key: KYHVTMFADJNSGS-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolyl carboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Z3N | Download | Experimental | e1z3nA1 | TIM beta/alpha-barrel | LigPlot |