PDB ligand accession: EMH
DrugBank: DB11363
PubChem:
ChEMBL:
InChI Key: KDGFLJKFZUIJMX-UHFFFAOYSA-N
SMILES: CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=CC=C(C=C3N1)C#N)C2=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 1131 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 1206 | Phosphorylation | PyMOL_RFAA |