PDB ligand accession: CI2
DrugBank: DB07557
PubChem:
ChEMBL:
InChI Key: XMRPGKVKISIQBV-XWOJZHJZSA-N
SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 56 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 58 | Phosphorylation | PyMOL_Chai1 | ||
SER | 169 | Phosphorylation | PyMOL_RFAA |