Ligand name: 3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
PDB ligand accession: 3CD
DrugBank: n/a
PubChem: 3081492
ChEMBL: n/a
InChI Key: XIQCGHNADRRDKB-RBEMOOQDSA-O
SMILES: c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: (5'->5')-dinucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P0A9B6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XF8	Download	Experimental	e2xf8A1 e2xf8A2 e2xf8H3 e2xf8C1 e2xf8C2 e2xf8B2 e2xf8E1 e2xf8E2 e2xf8G1 e2xf8G2 e2xf8I1 e2xf8I2 e2xf8P3 e2xf8K1 e2xf8K2 e2xf8J2 e2xf8M1 e2xf8M2 e2xf8O1 e2xf8O2	FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like	LigPlot