PDB ligand accession: NI7
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: APIFWVNKKSBMAV-ROUUACIJSA-N
SMILES: c1cc(cc(c1)O)CN2C3CNCC3N(C(=O)C2=O)Cc4cccc(c4)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 |
---|---|---|---|---|---|
3QN8 | Download | Experimental | e3qn8A1 e3qn8B1 | cradle loop barrel cradle loop barrel | LigPlot |
3QIH | Download | Experimental | e3qihA1 e3qihB1 | cradle loop barrel cradle loop barrel | LigPlot |