Ligand name: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
PDB ligand accession: 3CZ
DrugBank: DB07049
PubChem: 24812720
ChEMBL: CHEMBL427896
InChI Key: SOFGQQQVQZQJFS-MRXNPFEDSA-N
SMILES: [H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O
Drug action: n/a

List of small molecule binding-associated PTMs for P28845

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
ASN 123 N-linked_glycosylation
SER 196 Phosphorylation PyMOL_RFAA
TYR 280 Phosphorylation PyMOL_Chai1
SER 281 Phosphorylation PyMOL_RFAA
SER 283 Phosphorylation PyMOL_RFAA