Ligand name: (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
PDB ligand accession: SK2
DrugBank: DB08549
PubChem: 5327153
ChEMBL: CHEMBL1185001
InChI Key: MFDBNNQUDZFSES-KRWDZBQOSA-N
SMILES: CNC(=O)C1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)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 drug binding-associated PTMs

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
2F6V	Download	Experimental	e2f6vA1	Flavodoxin-like	LigPlot