PDB ligand accession: MOJ
DrugBank: DB08197
PubChem:
ChEMBL:
InChI Key: KYIXUSLGFINPTC-WVFAEZDRSA-N
SMILES: [H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 58 | Acetylation | PyMOL_RFAA | ||
| LYS | 100 | Acetylation | PyMOL_RFAA | ||
| LYS | 112 | Acetylation | PyMOL_RFAA | ||
| SER | 52 | Phosphorylation | PyMOL_RFAA | ||
| SER | 53 | Phosphorylation | PyMOL_RFAA | ||
| THR | 94 | Phosphorylation | PyMOL_RFAA | ||
| THR | 99 | Phosphorylation | PyMOL_RFAA | ||
| THR | 109 | Phosphorylation | PyMOL_RFAA | ||
| SER | 113 | Phosphorylation | PyMOL_RFAA | ||
| THR | 115 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 160 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| SER | 164 | Phosphorylation | PyMOL_RFAA | ||
| SER | 50 | Phosphorylation | PyMOL_RFAA | ||
| THR | 171 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 100 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
| MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 58 | Ubiquitination | |||
| LYS | 112 | Ubiquitination | |||
| LYS | 185 | Ubiquitination |