PDB ligand accession: 9Y7
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: HADCVZAHKWNLJA-UHFFFAOYSA-N
SMILES: c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N
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 |
---|---|---|---|---|---|
5W8K | Download | Experimental | e5w8kA1 e5w8kA2 e5w8kC1 e5w8kC2 e5w8kD1 e5w8kD2 | Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |
5W8J | Download | Experimental | e5w8jA2 e5w8jB1 e5w8jC1 e5w8jD1 e5w8jD2 | Rossmann-like Rossmann-like Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |