PDB ligand accession: DT4
DrugBank: DB07687
PubChem: n/a
ChEMBL:
InChI Key: LVRKQJAEQWVSCM-HAQNSBGRSA-N
SMILES: [H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 33 | Acetylation | PyMOL_RFAA | ||
LYS | 9 | Acetylation | PyMOL_RFAA | ||
LYS | 20 | Acetylation | PyMOL_RFAA | ||
THR | 14 | Phosphorylation | PyMOL_RFAA | ||
TYR | 15 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 19 | Phosphorylation | PyMOL_Chai1 | ||
THR | 158 | Phosphorylation | PyMOL_RFAA | ||
TYR | 159 | Phosphorylation | PyMOL_Chai1 | ||
THR | 165 | Phosphorylation | PyMOL_RFAA | ||
LYS | 9 | Ubiquitination | |||
LYS | 20 | Ubiquitination | |||
LYS | 33 | Ubiquitination | |||
LYS | 129 | Ubiquitination | |||
LYS | 142 | Ubiquitination |