Ligand name: 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide
PDB ligand accession: DRO
DrugBank: n/a
PubChem: 25113117
ChEMBL: CHEMBL503454
InChI Key: MLZCQGFPFQDFLC-NDEPHWFRSA-N
SMILES: Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4CC3CN)C(=O)N(c5ccccc5)c6ccccc6)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
2W3L	Download	Experimental	e2w3lA1 e2w3lB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot