PDB ligand accession: FRM
DrugBank: DB03072
PubChem: 448889;5288254;135460986;
ChEMBL:
InChI Key: LOFDUAJQRUYHBR-UHFFFAOYSA-N
SMILES: CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
ARG | 878 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
SER | 864 | Phosphorylation | PyMOL_RFAA | ||
SER | 874 | Phosphorylation | PyMOL_RFAA | ||
THR | 866 | Phosphorylation | PyMOL_RFAA | ||
THR | 867 | Phosphorylation | PyMOL_RFAA | ||
MET | 900 | Sulfoxidation | PyMOL_RFAA |