PDB ligand accession: 4PP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FJEAIYBDDQAFGU-NRFANRHFSA-N
SMILES: c1cc(cc(c1)C(CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N
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 |
---|---|---|---|---|---|
1XKA | Download | Experimental | e1xkaC1 | cradle loop barrel | LigPlot |
1XKB | Download | Experimental | e1xkbC1 e1xkbD1 | cradle loop barrel cradle loop barrel | LigPlot |