PDB ligand accession: EBI
DrugBank: DB15399
PubChem:
ChEMBL:
InChI Key: LQVXSNNAFNGRAH-QHCPKHFHSA-N
SMILES: C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1088 | Acetylation | PyMOL_RFAA | ||
SER | 1009 | Phosphorylation | PyMOL_RFAA | ||
TYR | 1014 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 1161 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 1165 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 1157 | Phosphorylation | PyMOL_RFAA | ||
LYS | 1033 | Ubiquitination |