Ligand name: 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE
PDB ligand accession: F25
DrugBank: DB07741
PubChem: 46937090
ChEMBL: n/a
InChI Key: VPNYXOTTXAXSIH-SXYSDOLCSA-N
SMILES: [H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)N)[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)[C@]([H])(C(F)F)[C@@]21[H]
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	599	Acetylation			PyMOL_Chai1
THR	540	Phosphorylation			PyMOL_Chai1