PDB ligand accession: 462
DrugBank: DB07089
PubChem: 11995761;137629174;
ChEMBL:
InChI Key: VZSMTBLDWPKVRW-UHFFFAOYSA-N
SMILES: CCCOC1=CC=C(C=C1)C1=CSC(=C1CC(=O)NC(N)=N)C1=CC=CC=C1Cl
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 136 | Acetylation | PyMOL_Chai1 | ||
LYS | 285 | Acetylation | PyMOL_Chai1 | ||
ASN | 172 | N-linked_glycosylation | |||
TYR | 259 | Phosphorylation | PyMOL_Chai1 | ||
SER | 290 | Phosphorylation | PyMOL_Chai1 | ||
THR | 292 | Phosphorylation | PyMOL_Chai1 | ||
THR | 293 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 285 | Ubiquitination |