Ligand name: 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
PDB ligand accession: Y6Y
DrugBank: n/a
PubChem: 71521142
ChEMBL: CHEMBL2311578
InChI Key: UJGTUKMAJVCBIS-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Biphenyls and derivatives

List of PDB structures and/or AlphaFold models with target protein P55072

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WUB	Download	Experimental	e7wubA1 e7wubB1 e7wubB2 e7wubB4 e7wubC1 e7wubC3 e7wubC2 e7wubD1 e7wubD4 e7wubE1 e7wubE2 e7wubE4 e7wubD3 e7wubE2 e7wubF1 e7wubF2 e7wubA1 e7wubA2 e7wubA4 e7wubF4 e7wubG4 e7wubG6 e7wubH3 e7wubH4 e7wubH6 e7wubI5 e7wubI6 e7wubI3 e7wubJ1 e7wubJ3 e7wubJ2 e7wubK2 e7wubK5 e7wubK3 e7wubL1 e7wubL2 e7wubL4 e7wubG4 e7wubG5 e7wubL4	P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
7LMY	Download	Experimental	e7lmyA1 e7lmyB1 e7lmyC4 e7lmyC1 e7lmyD4 e7lmyD1 e7lmyE1 e7lmyE4 e7lmyE1 e7lmyF4 e7lmyA1 e7lmyA4 e7lmyF1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot