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

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for BBQ

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	C1KHN2_BBQ	C1KHN2	n/a