Ligand name: 6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine
PDB ligand accession: TQT
DrugBank: DB02559
PubChem: 17754203
ChEMBL: n/a
InChI Key: HDQIGGQUKAQTGU-SZTTVXCBSA-N
SMILES: [H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2
Drug action: n/a

List of small molecule binding-associated PTMs for P00374

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 55 Acetylation PyMOL_RFAA
LYS 64 Acetylation PyMOL_RFAA
THR 39 Phosphorylation PyMOL_RFAA
SER 12 Phosphorylation PyMOL_RFAA
TYR 178 Phosphorylation PyMOL_Chai1
LYS 179 Ubiquitination