Ligand name: EPOTHILONE A
PDB ligand accession: EP
DrugBank: n/a
PubChem: 448799
ChEMBL: CHEMBL329993
InChI Key: HESCAJZNRMSMJG-KKQRBIROSA-N
SMILES: Cc1nc(cs1)C=C(C)C2CC3C(O3)CCCC(C(C(C(=O)C(C(CC(=O)O2)O)(C)C)C)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolides and analogues
      • Subclass: Epothilones and analogues

List of PDB structures and/or AlphaFold models with target protein Q6B856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4O4I	Download	Experimental	e4o4iB1 e4o4iB2 e4o4iD1 e4o4iD2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot
4O4L	Download	Experimental	e4o4lB1 e4o4lB2 e4o4lD1 e4o4lD2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot
4I50	Download	Experimental	e4i50D3 e4i50D4	Bacillus chorismate mutase-like Rossmann-like	LigPlot