PDB ligand accession: TTC
DrugBank: DB01030
PubChem:
ChEMBL:
InChI Key: UCFGDBYHRUNTLO-QHCPKHFHSA-N
SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 354 | Acetylation | PyMOL_RFAA | ||
LYS | 436 | Acetylation | PyMOL_RFAA | ||
LYS | 720 | Acetylation | PyMOL_RFAA | ||
TYR | 426 | Phosphorylation | PyMOL_Chai1 | ||
SER | 534 | Phosphorylation | PyMOL_RFAA | ||
MET | 428 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 354 | Ubiquitination | |||
LYS | 443 | Acetylation | PyMOL_RFAA |