PDB ligand accession: 200
DrugBank: n/a
PubChem: 736190;6931462;
ChEMBL:
InChI Key: NIGWMJHCCYYCSF-QMMMGPOBSA-N
SMILES: c1cc(ccc1CC(C(=O)O)N)Cl
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 |
---|---|---|---|---|---|
2AKW | Download | Experimental | e2akwA1 | Class II aaRS and biotin synthetases | LigPlot |