PDB ligand accession: CHQ
DrugBank: DB02414
PubChem:
ChEMBL:
InChI Key: NAKUGCPAQTUSBE-IUCAKERBSA-N
SMILES: c1c([nH]cn1)CC2C(=O)N3CCCC3C(=O)N2
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 |
---|---|---|---|---|---|
3N1A | Download | Experimental | e3n1aA1 | TIM beta/alpha-barrel | LigPlot |