Ligand name: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
PDB ligand accession: DR7
DrugBank: DB01072
PubChem: 148192
ChEMBL: CHEMBL1163
InChI Key: AXRYRYVKAWYZBR-GASGPIRDSA-N
SMILES: CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
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 P03369

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EL9	Download	Experimental	e3el9A1 e3el9B1	cradle loop barrel cradle loop barrel	LigPlot
3EKY	Download	Experimental	e3ekyA1 e3ekyB1	cradle loop barrel cradle loop barrel	LigPlot
3EL1	Download	Experimental	e3el1A1 e3el1B1	cradle loop barrel cradle loop barrel	LigPlot
3EM4	Download	Experimental	e3em4A1 e3em4B1 e3em4U1 e3em4U1 e3em4V1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3OXX	Download	Experimental	e3oxxB1 e3oxxA1 e3oxxC1 e3oxxD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3EKW	Download	Experimental	e3ekwA1 e3ekwB1	cradle loop barrel cradle loop barrel	LigPlot