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 A0A0S1B1B6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8J85	Download	Experimental	e8j85A1 e8j85B2 e8j85C2 e8j85D1 e8j85E2 e8j85F1 e8j85G1 e8j85H1	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