PDB ligand accession: N9H
DrugBank: DB08250
PubChem:
ChEMBL: n/a
InChI Key: OQMVLDZJPRSNOG-NRFANRHFSA-N
SMILES: CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| SER | 120 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 125 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| THR | 126 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 211 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| TYR | 231 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| SER | 232 | Phosphorylation | PyMOL_RFAA | ||
| THR | 222 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 207 | Ubiquitination | |||
| LYS | 216 | Ubiquitination |