Mass: 277.941 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C8H6Br2O Details: The depositor stated, 'All these ligands are correct except ligand PBP. This ligand is a covalent inhibitor of SARS-CoV-2 main protease. The original SMILES of this ligand is ...Details: The depositor stated, 'All these ligands are correct except ligand PBP. This ligand is a covalent inhibitor of SARS-CoV-2 main protease. The original SMILES of this ligand is C1=CC(=CC=C1C(=O)C(Br)Br)Br. It is not PBP. But the residues after the covalent reaction are the same. The model I deposited is the structure of SARS-CoV-2 main protease in complex with this covalent inhibitor. Two bromine atoms of this inhibitor are removed during the formation of a covalent bond. What is shown in the model is the conformation after the covalent reaction of the inhibitor and main protease.' Feature type: SUBJECT OF INVESTIGATION
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