Ligand name: [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
PDB ligand accession: E4U
DrugBank: n/a
PubChem: 154573606
ChEMBL: CHEMBL4446834
InChI Key: OIYFPOOZLADOLC-SFTDATJTSA-N
SMILES: B(C(CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q2YSF8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6L3X	Download	Experimental	e6l3xA1 e6l3xB1 e6l3xC1 e6l3xD1 e6l3xE1 e6l3xI1 e6l3xF1 e6l3xG1 e6l3xH1 e6l3xI1 e6l3xJ1 e6l3xK1 e6l3xL1 e6l3xG1 e6l3xM1 e6l3xF1 e6l3xN1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot