Ligand name: (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
PDB ligand accession: 575
DrugBank: DB07156
PubChem: 24808489
ChEMBL: CHEMBL263143
InChI Key: JFEKAVPMVOLVTH-UNOMPAQXSA-N
SMILES: BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P08069

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 1088 Acetylation PyMOL_RFAA
SER 1009 Phosphorylation PyMOL_RFAA
TYR 1014 Phosphorylation PyMOL_RFAA PyMOL_Chai1
LYS 1033 Ubiquitination