Ligand name: {(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate
PDB ligand accession: VB7
DrugBank: n/a
PubChem: 118647739
ChEMBL: CHEMBL4848114
InChI Key: HKKCQZRJLCIYQD-NPDZVAPOSA-N
SMILES: c1ccc2c(c1)CCOC2c3cc(sc3)C(=O)c4cncnc4NC5CC(C(C5)O)COS(=O)(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 2-benzopyrans

List of PDB structures and/or AlphaFold models with target protein Q9UBT2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6XOH	Download	Experimental	e6xohB2 e6xohC1	Rossmann-like beta-Grasp	LigPlot