PDB ligand accession: KLN
DrugBank: DB05667
PubChem:
ChEMBL:
InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
SMILES: CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 248 | Phosphorylation | PyMOL_RFAA |