PDB ligand accession: LQQ
DrugBank: DB09073
PubChem:
ChEMBL:
InChI Key: AHJRHEGDXFFMBM-UHFFFAOYSA-N
SMILES: CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 26 | Acetylation | PyMOL_RFAA | ||
LYS | 43 | Acetylation | PyMOL_RFAA | ||
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
THR | 154 | Phosphorylation | PyMOL_RFAA | ||
SER | 155 | Phosphorylation | PyMOL_RFAA | ||
LYS | 26 | Ubiquitination | |||
LYS | 29 | Ubiquitination | |||
LYS | 147 | Ubiquitination | |||
LYS | 43 | Ubiquitination | |||
LYS | 111 | Ubiquitination | |||
LYS | 160 | Ubiquitination |