PDB ligand accession: 20T
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MBKCNGJHWVWHDL-NMOFPLQQSA-N
SMILES: c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)C5C(C(C(O5)COP(=O)(O)O)O)O)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4M6Q | Download | Experimental | e4m6qA2 e4m6qB3 e4m6qA1 e4m6qA2 e4m6qB1 | TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |