PDB ligand accession: NCC
DrugBank: DB02485
PubChem:
ChEMBL:
InChI Key: TXCIAUNLDRJGJZ-BILDWYJOSA-N
SMILES: [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 55 | Phosphorylation | PyMOL_RFAA | ||
LYS | 56 | Ubiquitination | |||
LYS | 61 | Ubiquitination | |||
LYS | 200 | Acetylation | PyMOL_RFAA | ||
LYS | 200 | Ubiquitination |