Ligand name: 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol
PDB ligand accession: 52E
DrugBank: n/a
PubChem: 57947912
ChEMBL: n/a
InChI Key: HLEXQOJKMXKUKE-RBUKOAKNSA-N
SMILES: CN(C(CC(CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P10587

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5M05	Download	Experimental	e5m05A2	P-loop domains-like	LigPlot
5T45	Download	Experimental	e5t45A1	P-loop domains-like	LigPlot