PDB ligand accession: IMZ
DrugBank: DB02872
PubChem:
ChEMBL:
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
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 |