PDB ligand accession: FAL
DrugBank: DB07750
PubChem:
ChEMBL: n/a
InChI Key: GNLAGGCSJGJECE-MRXNPFEDSA-N
SMILES: [H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1
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 | 158 | Phosphorylation | PyMOL_RFAA | ||
TYR | 159 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 9 | Ubiquitination | |||
LYS | 20 | Ubiquitination | |||
LYS | 33 | Ubiquitination | |||
LYS | 129 | Ubiquitination | |||
LYS | 142 | Ubiquitination |