PDB ligand accession: EVK
DrugBank: DB13930
PubChem:
ChEMBL:
InChI Key: KSERXGMCDHOLSS-LJQANCHMSA-N
SMILES: [H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 29 | Phosphorylation | PyMOL_RFAA | ||
SER | 41 | Phosphorylation | PyMOL_RFAA | ||
THR | 63 | Phosphorylation | PyMOL_RFAA | ||
THR | 190 | Phosphorylation | PyMOL_RFAA | ||
TYR | 64 | Phosphorylation | PyMOL_Chai1 | ||
CYS | 65 | S-nitrosylation | PyMOL_RFAA | ||
CYS | 166 | S-nitrosylation | PyMOL_RFAA |