Ligand name: CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
PDB ligand accession: BBQ
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: MSXWUFQOFQGEEP-GYUKIKGESA-N
SMILES: B12(C(CCO1)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)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 C1KHN2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XCF	Download	Experimental	e2xcfA1	cradle loop barrel	LigPlot