PDB ligand accession: NPS
DrugBank: DB00788
PubChem:
ChEMBL:
InChI Key: CMWTZPSULFXXJA-VIFPVBQESA-N
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 117 | Phosphorylation | PyMOL_Chai1 | ||
THR | 88 | Phosphorylation | PyMOL_Chai1 | ||
THR | 93 | Phosphorylation | PyMOL_RFAA |