PDB ligand accession: 3FP
DrugBank: DB07054
PubChem:
ChEMBL: n/a
InChI Key: OSCWQKTUILTARV-MRXNPFEDSA-N
SMILES: [H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 33 | Acetylation | PyMOL_RFAA | ||
LYS | 9 | Acetylation | PyMOL_RFAA | ||
LYS | 20 | Acetylation | PyMOL_RFAA | ||
THR | 14 | Phosphorylation | PyMOL_RFAA | ||
TYR | 15 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 19 | Phosphorylation | PyMOL_Chai1 | ||
THR | 165 | Phosphorylation | PyMOL_RFAA | ||
LYS | 9 | Ubiquitination | |||
LYS | 20 | Ubiquitination | |||
LYS | 33 | Ubiquitination | |||
LYS | 129 | Ubiquitination | |||
LYS | 142 | Ubiquitination |