PDB ligand accession: P16
DrugBank: DB08339
PubChem:
ChEMBL:
InChI Key: ZIQFYVPVJZEOFS-UHFFFAOYSA-N
SMILES: CN1C(=O)C(=CC2=CN=C(NC3=CC=CC(CO)=C3)N=C12)C1=C(Cl)C=CC=C1Cl
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 253 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 257 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 267 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 312 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 320 | Phosphorylation | PyMOL_Chai1 |