Ligand name: Carba-nicotinamide-adenine-dinucleotide
PDB ligand accession: CNA
DrugBank: DB02498
InChI Key: DGPLSUKWXXSBCU-VGXGLJSLSA-O
SMILES: c1cc(c[n+](c1)C2CC(C(C2O)O)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C(=O)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P09874

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P09874	Download	Predicted	P09874_F1_nD6 P09874_F1_nD7	Domain of poly(ADP-ribose) polymerase ADP-ribosylation
1UK0		Predicted	e1uk0A1 e1uk0B1 e1uk0A2 e1uk0B2
1UK1		Predicted	e1uk1A1 e1uk1B1 e1uk1A2 e1uk1B2
1WOK		Predicted	e1wokA1 e1wokB1 e1wokD1 e1wokC1 e1wokB2 e1wokA2 e1wokC2 e1wokD2
2COK		Predicted	e2cokA1
2CR9		Predicted	e2cr9A1
2CS2		Predicted	e2cs2A1
2DMJ		Predicted	e2dmjA1
2JVN		Predicted	e2jvnA4 e2jvnA3
2L30		Predicted	e2l30A1
2L31		Predicted	e2l31A1
2N8A		Predicted	e2n8aA1 e2n8aA2
2RCW		Predicted	e2rcwA1 e2rcwA2
2RD6		Predicted	e2rd6A1 e2rd6A2
2RIQ		Predicted	e2riqA1 e2riqA2
3GJW		Predicted	e3gjwA1 e3gjwA2
3GN7		Predicted	e3gn7A1 e3gn7A2
3L3L		Predicted	e3l3lA1 e3l3lA2
3L3M		Predicted	e3l3mA1 e3l3mA2
3OD8		Predicted	e3od8B1 e3od8C1 e3od8D1 e3od8E1 e3od8F1 e3od8G1 e3od8H1 e3od8A2
3ODA		Predicted	e3odaA1 e3odaB1 e3odaC1 e3odaD1 e3odaE1 e3odaF1 e3odaG1 e3odaH1
3ODC		Predicted	e3odcA1 e3odcB1
3ODE		Predicted	e3odeA1 e3odeB1
4AV1		Predicted	e4av1C3 e4av1A2 e4av1B1 e4av1D1
4DQY		Predicted	e4dqyB1 e4dqyE1 e4dqyC2 e4dqyF8 e4dqyC3 e4dqyF9 e4dqyC1 e4dqyF7 e4dqyE2 e4dqyB2 e4dqyD3 e4dqyA2
4GV7		Predicted	e4gv7A1 e4gv7B1 e4gv7C1 e4gv7D1 e4gv7A2 e4gv7B2 e4gv7C2 e4gv7D2
4HHY		Predicted	e4hhyC1 e4hhyB1 e4hhyA1 e4hhyD2 e4hhyC2 e4hhyB2 e4hhyA2 e4hhyD1
4HHZ		Predicted	e4hhzB1 e4hhzC1 e4hhzA1 e4hhzD4 e4hhzB2 e4hhzC2 e4hhzA2 e4hhzD3
4L6S		Predicted	e4l6sA1 e4l6sB1 e4l6sA2 e4l6sB2
4OPX		Predicted	e4opxA2 e4opxD3 e4opxC1 e4opxF1 e4opxC3 e4opxF3 e4opxC2 e4opxF2 e4opxD2 e4opxA1
4OQA		Predicted	e4oqaA2 e4oqaD2 e4oqaC1 e4oqaF1 e4oqaC3 e4oqaF3 e4oqaC2 e4oqaF2 e4oqaA1 e4oqaD1
4OQB		Predicted	e4oqbA2 e4oqbD2 e4oqbC1 e4oqbF1 e4oqbC3 e4oqbF3 e4oqbC2 e4oqbF2 e4oqbA1 e4oqbD1
4PJT		Predicted	e4pjtA2 e4pjtB2 e4pjtC2 e4pjtD2 e4pjtA1 e4pjtB1 e4pjtC1 e4pjtD1
4R5W		Predicted	e4r5wA2 e4r5wB1 e4r5wA1 e4r5wB2
4R6E		Predicted	e4r6eA2 e4r6eC1 e4r6eB2 e4r6eD1 e4r6eA1 e4r6eC2 e4r6eB1 e4r6eD2
4RV6		Predicted	e4rv6A2 e4rv6B1 e4rv6C1 e4rv6D2 e4rv6A1 e4rv6B2 e4rv6C2 e4rv6D1
4UND		Predicted	e4undA1 e4undB2 e4undA2 e4undB1
4UXB		Predicted	e4uxbB1 e4uxbA2 e4uxbB2 e4uxbA1
4XHU		Predicted	e4xhuC1 e4xhuA2 e4xhuC2 e4xhuA1
4ZZZ		Predicted	e4zzzA2 e4zzzB2 e4zzzA1 e4zzzB1
5A00		Predicted	e5a00A1 e5a00A2
5DS3		Predicted	e5ds3A1
5HA9		Predicted	e5ha9A2 e5ha9B2 e5ha9A1 e5ha9B1
5KPN		Predicted	e5kpnA1 e5kpnB1 e5kpnA2 e5kpnB2
5KPO		Predicted	e5kpoA1 e5kpoB1 e5kpoA2 e5kpoB2
5KPP		Predicted	e5kppA2 e5kppB1 e5kppA1 e5kppB2
5KPQ		Predicted	e5kpqA1 e5kpqB1 e5kpqA2 e5kpqB2
5WRQ		Predicted	e5wrqA1 e5wrqB1 e5wrqA2 e5wrqB2
5WRY		Predicted	e5wryA2 e5wryB2 e5wryA1 e5wryB1
5WRZ		Predicted	e5wrzA2 e5wrzB2 e5wrzA1 e5wrzB1
5WS0		Predicted	e5ws0A1 e5ws0B2 e5ws0A2 e5ws0B1
5WS1		Predicted	e5ws1A1 e5ws1B1 e5ws1A2 e5ws1B2
5WTC		Predicted	e5wtcA1 e5wtcB2 e5wtcA2 e5wtcB1
5XSR		Predicted	e5xsrA1 e5xsrA2
5XST		Predicted	e5xstA1 e5xstA2
5XSU		Predicted	e5xsuD1 e5xsuA2 e5xsuB2 e5xsuC1 e5xsuD2 e5xsuA1 e5xsuB1 e5xsuC2
6BHV		Predicted	e6bhvD1 e6bhvA1 e6bhvB1 e6bhvC1
6GHK		Predicted	e6ghkB2 e6ghkA1 e6ghkB1 e6ghkA2