Ligand name: (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine
PDB ligand accession: JK8
DrugBank: n/a
PubChem: 137796790
ChEMBL: CHEMBL4445556
InChI Key: HHSLFPVGKCXEOG-FQEVSTJZSA-N
SMILES: c1ccc(cc1)C(CN)Oc2c3cc(ccc3on2)c4ccccc4Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzisoxazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q99XG5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QX1	Download	Experimental	e6qx1A1 e6qx1A2 e6qx1B1 e6qx1C1 e6qx1C2 e6qx1D1	a+b domain in type II DNA topoisomerase HTH HAD domain-related a+b domain in type II DNA topoisomerase HTH HAD domain-related	LigPlot
6QX2	Download	Experimental	e6qx2B1 e6qx2A2 e6qx2A3 e6qx2C1 e6qx2C3 e6qx2D1 e6qx2l3 e6qx2K1 e6qx2J2 e6qx2J3 e6qx2L1 e6qx2L3 e6qx2M1 e6qx2S1 e6qx2R1 e6qx2R3 e6qx2T1 e6qx2T3 e6qx2U1 e6qx2b1 e6qx2a1 e6qx2a3 e6qx2c1 e6qx2c2 e6qx2d1 e6qx2j2 e6qx2j3 e6qx2k1 e6qx2l2 e6qx2l3 e6qx2J3 e6qx2m1 e6qx2r1 e6qx2r3 e6qx2s1 e6qx2t1 e6qx2t2 e6qx2u1	HAD domain-related HTH a+b domain in type II DNA topoisomerase a+b domain in type II DNA topoisomerase HTH HAD domain-related a+b domain in type II DNA topoisomerase HAD domain-related HTH a+b domain in type II DNA topoisomerase a+b domain in type II DNA topoisomerase HTH HAD domain-related HAD domain-related HTH a+b domain in type II DNA topoisomerase HTH a+b domain in type II DNA topoisomerase HAD domain-related HAD domain-related a+b domain in type II DNA topoisomerase HTH a+b domain in type II DNA topoisomerase HTH HAD domain-related HTH a+b domain in type II DNA topoisomerase HAD domain-related HTH a+b domain in type II DNA topoisomerase a+b domain in type II DNA topoisomerase HAD domain-related a+b domain in type II DNA topoisomerase HTH HAD domain-related a+b domain in type II DNA topoisomerase HTH HAD domain-related	LigPlot