Ligand name: 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
PDB ligand accession: O5S
DrugBank: n/a
PubChem: 145946102
ChEMBL: n/a
InChI Key: DLHKDPGFCFXJMF-UHFFFAOYSA-N
SMILES: CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6P8Z	Download	Experimental	e6p8zA1 e6p8zA1 e6p8zB1	P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot