Ligand name: Carba-nicotinamide-adenine-dinucleotide
PDB ligand accession: CNA
DrugBank: DB02498
PubChem: 163884
ChEMBL: CHEMBL5220997
InChI Key: DGPLSUKWXXSBCU-VGXGLJSLSA-O
SMILES: [H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O
Drug action: n/a

List of small molecule binding-associated PTMs for P09874

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
MET	900	Sulfoxidation		PyMOL_RFAA