Ligand name: Resiniferatoxin
PDB ligand accession: 6EU
DrugBank: DB06515
PubChem: 5702546
ChEMBL: CHEMBL17976
InChI Key: DSDNAKHZNJAGHN-MXTYGGKSSA-N
SMILES: [H][C@]12O[C@]3(CC4=CC=CC=C4)O[C@]1(C[C@@]([H])(C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)CC3=CC(OC)=C(O)C=C3)=C[C@@]21[H])C(C)=C
Drug action: n/a

List of small molecule binding-associated PTMs for Q8NER1

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
THR	705	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
TYR	565	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1