PDB ligand accession: W94
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CYNIHEXFNGMKLP-OALUTQOASA-N
SMILES: c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3VJL | Download | Experimental | e3vjlA1 e3vjlA2 e3vjlB1 e3vjlB2 | beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases | LigPlot |