Ligand name: N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE
PDB ligand accession: 14A
DrugBank: DB06859
PubChem: 657007
ChEMBL: CHEMBL123440
InChI Key: XWIUMAPBZWNFNV-UHFFFAOYSA-N
SMILES: NC(=N)NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CC=C)C1CCCC1
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 599 Acetylation PyMOL_Chai1
SER 539 Phosphorylation PyMOL_Chai1
THR 540 Phosphorylation PyMOL_Chai1