Ligand name: Nicotinamide 8-bromo-adenine dinucleotide phosphate
PDB ligand accession: NBP
DrugBank: DB03962
InChI Key: MDKMTCCUJSRQGW-NAJQWHGHSA-N
SMILES: c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N
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 P52209

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P52209	Download	Predicted	P52209_F1_nD1 P52209_F1_nD2	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like
2JKV		Predicted	e2jkvA1 e2jkvB1 e2jkvC1 e2jkvD1 e2jkvE1 e2jkvF1 e2jkvA2 e2jkvB2 e2jkvC2 e2jkvD2 e2jkvE2 e2jkvF2
4GWG		Predicted	e4gwgA1 e4gwgA2
4GWK		Predicted	e4gwkA1 e4gwkA2
5UQ9		Predicted	e5uq9B2 e5uq9A1 e5uq9C1 e5uq9D2 e5uq9E1 e5uq9F2 e5uq9G2 e5uq9H1 e5uq9B1 e5uq9A2 e5uq9C2 e5uq9D1 e5uq9E2 e5uq9F1 e5uq9G1 e5uq9H2