PDB ligand accession: TCH
DrugBank: DB04348
PubChem:
ChEMBL:
InChI Key: WBWWGRHZICKQGZ-HZAMXZRMSA-N
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 81 | Acetylation | PyMOL_RFAA |