PDB ligand accession: AEJ
DrugBank: DB03802
PubChem:
ChEMBL: n/a
InChI Key: ZGHFWBDHZZKWSI-LITSAYRRSA-N
SMILES: [H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 537 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 328 | Phosphorylation | PyMOL_Chai1 | ||
SER | 329 | Phosphorylation | PyMOL_RFAA |