PDB ligand accession: RQ3
DrugBank: DB08486
PubChem:
ChEMBL:
InChI Key: BNFRJXLZYUTIII-UHFFFAOYSA-N
SMILES: CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 100 | Acetylation | |||
| LYS | 140 | Acetylation | |||
| SER | 134 | O-linked_glycosylation | |||
| THR | 135 | Phosphorylation | |||
| THR | 138 | Phosphorylation | |||
| SER | 139 | Phosphorylation | |||
| SER | 134 | Phosphorylation | |||
| SER | 36 | O-linked_glycosylation | |||
| SER | 36 | Phosphorylation | |||
| THR | 40 | Phosphorylation | |||
| SER | 103 | Phosphorylation | |||
| SER | 132 | Phosphorylation | |||
| CYS | 105 | S-nitrosylation | |||
| TYR | 36 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 39 | Phosphorylation | PyMOL_RFAA | ||
| CYS | 113 | S-nitrosylation | PyMOL_RFAA | ||
| SER | 125 | Phosphorylation | |||
| TYR | 131 | Phosphorylation | PyMOL_Chai1 |