PDB ligand accession: BNT
DrugBank: DB04646
PubChem:
ChEMBL:
InChI Key: GHHZELQYJPWSMG-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4G86 | Download | Experimental | e4g86B3 e4g86A1 e4g86B2 | KaiA/RbsU domain-like KaiA/RbsU domain-like Flavodoxin-like | LigPlot |