PDB ligand accession: TUI
DrugBank: DB08657
PubChem:
ChEMBL:
InChI Key: SSXCWVOQWRUMGN-UHFFFAOYSA-N
SMILES: c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2Z6J | Download | Experimental | e2z6jA1 e2z6jB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |