Ligand name: 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA
PDB ligand accession: 2PU
DrugBank: DB06976
PubChem: 445841
ChEMBL: CHEMBL359020
InChI Key: IWOOJEZSDPRYAZ-WFASDCNBSA-N
SMILES: [H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1
Drug action: n/a

List of small molecule binding-associated PTMs for P24941

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 33 Acetylation PyMOL_RFAA
LYS 9 Acetylation PyMOL_RFAA
LYS 20 Acetylation PyMOL_RFAA
THR 14 Phosphorylation PyMOL_RFAA
TYR 15 Phosphorylation PyMOL_Chai1
TYR 19 Phosphorylation PyMOL_Chai1
LYS 9 Ubiquitination
LYS 20 Ubiquitination
LYS 33 Ubiquitination
LYS 129 Ubiquitination
LYS 142 Ubiquitination