PDB ligand accession: BET
DrugBank: DB04455
PubChem: 248;153685060;
ChEMBL:
InChI Key: KWIUHFFTVRNATP-UHFFFAOYSA-O
SMILES: C[N+](C)(C)CC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4MJW | Download | Experimental | e4mjwA1 e4mjwA2 e4mjwB1 e4mjwB2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |