Ligand name: Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine
PDB ligand accession: 984
DrugBank: DB03084
PubChem: 447872
ChEMBL: CHEMBL252967
InChI Key: XCTKFTOEAKJMII-UHFFFAOYSA-N
SMILES: CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1
Drug action: n/a

List of small molecule binding-associated PTMs for P53779

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 193 Phosphorylation PyMOL_RFAA
THR 221 Phosphorylation PyMOL_RFAA
TYR 223 Phosphorylation PyMOL_Chai1
THR 226 Phosphorylation PyMOL_RFAA
TYR 143 Phosphorylation PyMOL_Chai1