Ligand name: N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
PDB ligand accession: 2DD
DrugBank: DB04588
PubChem: 5287470
ChEMBL: CHEMBL200255
InChI Key: OOHYJGNSESWEFT-UHFFFAOYSA-N
SMILES: NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P07900

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 58 Acetylation PyMOL_RFAA
LYS 112 Acetylation PyMOL_RFAA
SER 52 Phosphorylation PyMOL_RFAA
SER 53 Phosphorylation PyMOL_RFAA
THR 90 Phosphorylation PyMOL_RFAA
THR 94 Phosphorylation PyMOL_RFAA
THR 99 Phosphorylation PyMOL_RFAA
THR 109 Phosphorylation PyMOL_RFAA
SER 113 Phosphorylation PyMOL_RFAA
THR 115 Phosphorylation PyMOL_RFAA
SER 50 Phosphorylation PyMOL_RFAA
MET 98 Sulfoxidation PyMOL_RFAA
LYS 58 Ubiquitination
LYS 112 Ubiquitination
LYS 185 Ubiquitination