PDB ligand accession: BAX
DrugBank: DB00398
PubChem:
ChEMBL:
InChI Key: MLDQJTXFUGDVEO-UHFFFAOYSA-N
SMILES: CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 553 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 721 | Phosphorylation | PyMOL_Chai1 | ||
THR | 619 | Phosphorylation | PyMOL_Chai1 |