Ligand name: Nilotinib
PDB ligand accession: NIL
DrugBank: DB04868
PubChem: 644241
ChEMBL: CHEMBL255863
InChI Key: HHZIURLSWUIHRB-UHFFFAOYSA-N
SMILES: CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F
Drug action: n/a

List of small molecule binding-associated PTMs for P00519

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 253 Phosphorylation PyMOL_Chai1
TYR 257 Phosphorylation PyMOL_Chai1
THR 267 Phosphorylation PyMOL_Chai1
TYR 312 Phosphorylation PyMOL_Chai1
TYR 320 Phosphorylation PyMOL_Chai1