Ligand name: 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
PDB ligand accession: J07
DrugBank: DB08005
PubChem: 16129582
ChEMBL: CHEMBL248176
InChI Key: ARMFMDYRYOKSOW-UHFFFAOYSA-N
SMILES: CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1
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