PDB ligand accession: VGH
DrugBank: DB08865
PubChem:
ChEMBL:
InChI Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N
SMILES: C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1110 | Acetylation | PyMOL_RFAA | ||
TYR | 1093 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 1230 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 1235 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
LYS | 1161 | Ubiquitination | |||
LYS | 1232 | Ubiquitination |