PDB ligand accession: GK3
DrugBank: DB07833
PubChem:
ChEMBL:
InChI Key: PMMLSQFPBFKLHH-UHFFFAOYSA-N
SMILES: CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 32 | Phosphorylation | PyMOL_RFAA | ||
TYR | 323 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA |