Ligand name: Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone
PDB ligand accession: IMZ
DrugBank: DB02872
PubChem: 5288631
ChEMBL: CHEMBL407632
InChI Key: PVRYEWOXWGDQHA-URLMMPGGSA-N
SMILES: [H][C@]1(N=C(N(C(=O)N2CCN(CCO)CC2)[C@]1([H])C1=CC=C(Br)C=C1)C1=C(OCC)C=C(OC)C=C1)C1=CC=C(Br)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for Q00987

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 48 Phosphorylation PyMOL_Chai1
THR 49 Phosphorylation PyMOL_RFAA
THR 63 Phosphorylation PyMOL_RFAA
TYR 56 Phosphorylation PyMOL_Chai1
TYR 60 Phosphorylation PyMOL_Chai1
CYS 77 S-nitrosylation PyMOL_RFAA