Ligand name: (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide
PDB ligand accession: 9NU
DrugBank: n/a
PubChem: 122391196
ChEMBL: CHEMBL4167466
InChI Key: CTUBNTAXILQBGR-FBZFJNBBSA-N
SMILES: CC(C(C(=O)NC1CC(N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C

ClassyFire chemical classification:

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

List of proteins that are targets for 9NU

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	M9TGV3_9NU	M9TGV3	Enoyl-[acyl-carrier-protein] reductase [NADH]	n/a