Ligand name: (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
PDB ligand accession: LKJ
DrugBank: n/a
PubChem: 52942828;72200163;
ChEMBL: n/a
InChI Key: OURBCKKEKMWLAJ-JYIFATIISA-N
SMILES: c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCCC4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCCC7Cn8cccc8)C(=O)NC(C9CCCCC9)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 P29965

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3LKJ	Download	Experimental	e3lkjA1 e3lkjB1 e3lkjC1	jelly-roll jelly-roll jelly-roll	LigPlot