PDB ligand accession: A1Z
DrugBank: DB12255
PubChem: 23634441;152781920;
ChEMBL:
InChI Key: JGRXMPYUTJLTKT-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
7UMP | Download | Experimental | e7umpA1 | jelly-roll | LigPlot |
5OX6 | Download | Experimental | e5ox6A1 | jelly-roll | LigPlot |