Ligand name: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE
PDB ligand accession: ST8
DrugBank: DB08572
PubChem: 5289411
ChEMBL: CHEMBL101801
InChI Key: YBKLJTXDSBEVRV-UHFFFAOYSA-N
SMILES: NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P20248

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 33 Acetylation
LYS 9 Acetylation
LYS 20 Acetylation
THR 14 Phosphorylation
TYR 15 Phosphorylation
TYR 19 Phosphorylation
THR 165 Phosphorylation
LYS 9 Ubiquitination
LYS 20 Ubiquitination
LYS 33 Ubiquitination
LYS 129 Ubiquitination
LYS 142 Ubiquitination