Ligand name: ORE-1001
PDB ligand accession: XX5
DrugBank: DB12271
InChI Key: NTCCRGGIJNDEAB-IRXDYDNUSA-N
SMILES: CC(C)CC(C(=O)O)NC(Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=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 PDB structures and/or AlphaFold models with target protein P15169

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P15169	Download	Predicted	P15169_F1_nD2 P15169_F1_nD1	Immunoglobulin-like beta-sandwich Phosphorylase/hydrolase-like
2NSM		Predicted	e2nsmA2 e2nsmA1