Ligand name: N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
PDB ligand accession: 398
DrugBank: n/a
PubChem: 56973535
ChEMBL: CHEMBL2031018
InChI Key: DKJBPPVETUSFTM-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Benzylisoquinolines

List of PDB structures and/or AlphaFold models with target protein P10415

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AQ3	Download	Experimental	e4aq3A2 e4aq3C2 e4aq3E2 e4aq3B2 e4aq3D2 e4aq3C2 e4aq3A2 e4aq3F2 e4aq3E2 e4aq3F2	Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot