Ligand name: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine
PDB ligand accession: Z99
DrugBank: n/a
PubChem: 9819927
ChEMBL: CHEMBL432038
InChI Key: VLZBRVJVCCNPRJ-KPHUOKFYSA-N
SMILES: c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)(C(=O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 1-benzopyrans

List of PDB structures and/or AlphaFold models with target protein Q14416

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8JCY	Download	Experimental	e8jcy23 e8jcy24	Flavodoxin-like Flavodoxin-like	LigPlot
8JCW	Download	Experimental	e8jcw22 e8jcw24	Flavodoxin-like Flavodoxin-like	LigPlot
7MTQ	Download	Experimental	e7mtqA2 e7mtqA3 e7mtqB3 e7mtqB4	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
8JCZ	Download	Experimental	e8jcz23 e8jcz24	Flavodoxin-like Flavodoxin-like	LigPlot
8JCX	Download	Experimental	e8jcx23 e8jcx24	Flavodoxin-like Flavodoxin-like	LigPlot
8JCV	Download	Experimental	e8jcv21 e8jcv24	Flavodoxin-like Flavodoxin-like	LigPlot
8JCU	Download	Experimental	e8jcu21 e8jcu23	Flavodoxin-like Flavodoxin-like	LigPlot