Ligand name: (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide
PDB ligand accession: K8I
DrugBank: n/a
PubChem: 156068882
ChEMBL: CHEMBL5206992
InChI Key: YHMDHAMZFMNMTF-MSOLQXFVSA-N
SMILES: Cc1cccc(c1)N(C)C(=O)C2C(CCN2c3c(c(cc(n3)C)C(F)(F)F)C#N)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 O75417

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7ZX1	Download	Experimental	e7zx1AAA4 e7zx1BBB3 e7zx1CCC3 e7zx1DDD1	helical bundle in Bacillus stearothermophilus-like DNA polymerase I helical bundle in Bacillus stearothermophilus-like DNA polymerase I helical bundle in Bacillus stearothermophilus-like DNA polymerase I helical bundle in Bacillus stearothermophilus-like DNA polymerase I	LigPlot