Ligand name: (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
PDB ligand accession: CTF
DrugBank: DB07596
PubChem: 11188898
ChEMBL: CHEMBL408967
InChI Key: NTSPHKOMJMBWOU-NNKXXINSSA-N
SMILES: [H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C
Drug action: n/a

List of small molecule binding-associated PTMs for P00918

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 29 Phosphorylation PyMOL_RFAA