7URB
Sars-Cov2 Main Protease in complex with CDD-1733
Summary for 7URB
Entry DOI | 10.2210/pdb7urb/pdb |
Descriptor | 3C-like proteinase, (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide (3 entities in total) |
Functional Keywords | sars-cov2, main protease, inhibitor, covalent, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 34482.24 |
Authors | Lu, S.,Palzkill, T.,Matzuk, M.M.,Judge, A. (deposition date: 2022-04-21, release date: 2023-07-26, Last modification date: 2023-08-16) |
Primary citation | Jimmidi, R.,Chamakuri, S.,Lu, S.,Ucisik, M.N.,Chen, P.J.,Bohren, K.M.,Moghadasi, S.A.,Versteeg, L.,Nnabuife, C.,Li, J.Y.,Qin, X.,Chen, Y.C.,Faver, J.C.,Nyshadham, P.,Sharma, K.L.,Sankaran, B.,Judge, A.,Yu, Z.,Li, F.,Pollet, J.,Harris, R.S.,Matzuk, M.M.,Palzkill, T.,Young, D.W. DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6:164-164, 2023 Cited by PubMed: 37542196DOI: 10.1038/s42004-023-00961-y PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.14 Å) |
Structure validation
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