PDB ligand accession: KSA
DrugBank: DB02152
PubChem:
ChEMBL:
InChI Key: KOZFSFOOLUUIGY-SOLYNIJKSA-N
SMILES: [H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1110 | Acetylation | PyMOL_RFAA | ||
TYR | 1093 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 1230 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
GLU | 1233 | Phosphorylation | |||
LYS | 1161 | Ubiquitination | |||
LYS | 1232 | Ubiquitination |