Ligand name: CRA_10655
PDB ligand accession: 655
DrugBank: DB02526
PubChem: 447480
ChEMBL: CHEMBL303992
InChI Key: WCFWDBPDMBXMTQ-UHFFFAOYSA-N
SMILES: NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-]
Drug action: n/a

List of small molecule binding-associated PTMs for P00749

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	323	Phosphorylation			PyMOL_Chai1
THR	316	Phosphorylation			PyMOL_Chai1
TYR	326	Phosphorylation			PyMOL_Chai1
TYR	328	Phosphorylation			PyMOL_Chai1
THR	335	Phosphorylation			PyMOL_Chai1
SER	395	Phosphorylation			PyMOL_Chai1