Ligand name: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
PDB ligand accession: 97U
DrugBank: n/a
PubChem: 442530
ChEMBL: CHEMBL589366
InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N
SMILES: CC1Cc2c(cc(c(c2C(=O)O1)O)C(=O)NC(Cc3ccccc3)C(=O)O)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Ochratoxins and related substances
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A0A7L8TXW5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8IHS	Download	Experimental	e8ihsA2 e8ihsB1 e8ihsC2 e8ihsD1 e8ihsE1 e8ihsF1 e8ihsG2 e8ihsH1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot