Ligand name: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
PDB ligand accession: C3A
DrugBank: n/a
PubChem: 6857706
ChEMBL: n/a
InChI Key: YCRRSNQAJBEKFO-QFQXNSOFSA-N
SMILES: C=CCOC(=O)NC(CCC1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Indanes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P20231

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2FXR	Download	Experimental	e2fxrA1 e2fxrB1 e2fxrC1 e2fxrD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
2FS8	Download	Experimental	e2fs8A1 e2fs8B1 e2fs8C1 e2fs8D1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot