Ligand name: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE
PDB ligand accession: G44
DrugBank: DB07809
PubChem: 17758361
ChEMBL: n/a
InChI Key: MBJYEMUMDMGQQC-UHFFFAOYSA-N
SMILES: CC1=CC=CC(=C1)C(=O)C1=CC=NC(NCC2=CC=C(C=C2)C(N)=N)=C1
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
SER 539 Phosphorylation PyMOL_Chai1
THR 540 Phosphorylation PyMOL_Chai1