Ligand name: Tropifexor
PDB ligand accession: GWF
DrugBank: DB16343
PubChem: n/a
ChEMBL: CHEMBL4298169
InChI Key: VYLOOGHLKSNNEK-PIIMJCKOSA-N
SMILES: OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(OC(F)(F)F)C=CC=C1)C1CC1
Drug action: n/a

List of small molecule binding-associated PTMs for Q96RI1

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 356 Phosphorylation PyMOL_RFAA
SER 359 Phosphorylation PyMOL_RFAA