PDB ligand accession: GMJ
DrugBank: DB00502
PubChem:
ChEMBL:
InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N
SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 202 | Phosphorylation | PyMOL_RFAA | ||
SER | 205 | Phosphorylation | PyMOL_RFAA | ||
TYR | 206 | Phosphorylation | PyMOL_Chai1 |