PDB ligand accession: BDO
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: SMHLWQCDIJPLEC-OAHLLOKOSA-N
SMILES: CC(C)CC1(C(=O)N(C(=N)N1)Cc2cccc(c2)Cl)C
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 |
---|---|---|---|---|---|
3L5B | Download | Experimental | e3l5bA2 e3l5bA3 e3l5bB2 e3l5bB3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |