PDB ligand accession: 6DH
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: FDRMNTVCDKSRNL-UHFFFAOYSA-N
SMILES: c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: None
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4NIR | Download | Experimental | e4nirA1 e4nirB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |