PDB ligand accession: FMM
DrugBank: DB01259
PubChem:
ChEMBL:
InChI Key: BCFGMOOMADDAQU-UHFFFAOYSA-N
SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 852 | Malonylation | PyMOL_RFAA | ||
| SER | 720 | Phosphorylation | PyMOL_RFAA | ||
| THR | 725 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 727 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| TYR | 764 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| SER | 768 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 998 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| CYS | 797 | S-palmitoylation | PyMOL_RFAA | ||
| MET | 766 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 714 | Ubiquitination | |||
| LYS | 716 | Ubiquitination | |||
| LYS | 728 | Ubiquitination | |||
| LYS | 846 | Ubiquitination | |||
| LYS | 913 | Ubiquitination |