PDB ligand accession: 9Y1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QJOXPOLQKMNMLN-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5W8H | Download | Experimental | e5w8hA2 e5w8hB1 e5w8hC2 | Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |