Ligand name: ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
PDB ligand accession: 5RS
DrugBank: n/a
PubChem: 105539868
ChEMBL: n/a
InChI Key: QHOOZSSNIATKFV-ZCNUFEDYSA-N
SMILES: CCc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC4(CC4CC)C(=O)NS(=O)(=O)C5CC5
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 C1KIK8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5EQQ	Download	Experimental	e5eqqA1	cradle loop barrel	LigPlot
5ETX	Download	Experimental	e5etxA1 e5etxC1 e5etxB1 e5etxD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot