PDB ligand accession: EMD
DrugBank: DB03944
PubChem:
ChEMBL: n/a
InChI Key: IZLRMTJLQCLMKF-CYBMUJFWSA-N
SMILES: [H][C@]1(C)SC(=O)NN=C1C1=CC2=C(C=C1)N(CCC2)C(=O)C1=CC(OC)=C(OC)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 111 | Phosphorylation | PyMOL_Chai1 |