Ligand name: (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID
PDB ligand accession: 151
DrugBank: n/a
PubChem: 445970
ChEMBL: n/a
InChI Key: PWBJTGRBTWYVSH-XOKHGSTOSA-N
SMILES: CC(C)C(C1C(CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Carboxylic acid derivatives

List of PDB structures and/or AlphaFold models with target protein P08246

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1H1B	Download	Experimental	e1h1bA1 e1h1bB1	cradle loop barrel cradle loop barrel	LigPlot