Ligand name: 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID
PDB ligand accession: UN7
DrugBank: n/a
PubChem: 5327158
ChEMBL: CHEMBL205997
InChI Key: AQIMGTQPGXDDPP-SFHVURJKSA-N
SMILES: CNC(=O)C1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)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

List of PDB structures and/or AlphaFold models with target protein P18031

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2F71	Download	Experimental	e2f71A1	Flavodoxin-like	LigPlot