PDB ligand accession: 12C
DrugBank: DB06852
PubChem:
ChEMBL:
InChI Key: MOVBBVMDHIRCTG-LJQANCHMSA-N
SMILES: ClC1=CC2=C(NC(=O)C(C3=NC4=CC=CC=C4N3)=C2N[C@@H]2CN3CCC2CC3)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 145 | Ubiquitination |