PDB ligand accession: CBD
DrugBank: DB02633
PubChem: 172469;136700241;
ChEMBL:
InChI Key: YKCWQPZFAFZLBI-UHFFFAOYSA-N
SMILES: NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 196 | Phosphorylation | PyMOL_RFAA | ||
THR | 190 | Phosphorylation | PyMOL_RFAA | ||
TYR | 191 | Phosphorylation | PyMOL_Chai1 | ||
SER | 192 | Phosphorylation | PyMOL_RFAA | ||
LYS | 61 | Acetylation | PyMOL_RFAA | ||
TYR | 68 | Phosphorylation | PyMOL_Chai1 | ||
SER | 174 | Phosphorylation | PyMOL_RFAA | ||
SER | 72 | Phosphorylation | PyMOL_RFAA | ||
LYS | 61 | Ubiquitination |