Ligand name: 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE
PDB ligand accession: CN2
DrugBank: DB07574
InChI Key: TYDIWMTWTXFWSY-HNNXBMFYSA-N
SMILES: COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(CC2)NC(=O)CS)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbon derivatives
    • Class: Tropones
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P68363

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P68363	Download	Predicted	P68363_F1_nD2 P68363_F1_nD1	Bacillus chorismate mutase-like Rossmann-like
5IJ0		Predicted	e5ij0A2 e5ij0A1
5IJ9		Predicted	e5ij9A1 e5ij9A2
5N5N		Predicted	e5n5nK2 e5n5nG2 e5n5nH2 e5n5nI2 e5n5nJ2 e5n5nL2 e5n5nK1 e5n5nG1 e5n5nH1 e5n5nI1 e5n5nJ1 e5n5nL1
6E7B		Predicted	e6e7bA2 e6e7bA1
6E7C		Predicted	e6e7cA2 e6e7cA1
6I2I		Predicted	e6i2iA1 e6i2iA2
6QUS		Predicted	e6qusX1 e6qusO1 e6qusX2 e6qusO2
6QUY		Predicted	e6quyA1 e6quyC1 e6quyA2 e6quyC2
6QVE		Predicted	e6qveC1 e6qveA2 e6qveC2 e6qveA1
6QVJ		Predicted	e6qvjO1 e6qvjX2 e6qvjO2 e6qvjX1
6S8L		Predicted	e6s8lA2 e6s8lA1