PDB ligand accession: ZD6
DrugBank: DB05294
PubChem:
ChEMBL:
InChI Key: UHTHHESEBZOYNR-UHFFFAOYSA-N
SMILES: COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 754 | Phosphorylation | PyMOL_RFAA | ||
TYR | 791 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 806 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 809 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 891 | Phosphorylation | PyMOL_RFAA |