PDB ligand accession: C3S
DrugBank: DB01990
PubChem:
ChEMBL:
InChI Key: BHYOQNUELFTYRT-DPAQBDIFSA-N
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 328 | O-linked_glycosylation |