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4NWL

Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide

Summary for 4NWL
Entry DOI10.2210/pdb4nwl/pdb
Related4NWK
DescriptorHCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION, ... (4 entities in total)
Functional Keywordshydrolase/hydrolase inhibitor, serine protease, hydrolase-hydrolase inhibitor complex
Biological sourceHepatitis C virus
More
Cellular locationVirion : A8DG50
Total number of polymer chains2
Total formula weight48150.02
Authors
Muckelbauer, J.K.,Klei, H.E. (deposition date: 2013-12-06, release date: 2014-03-26, Last modification date: 2024-02-28)
Primary citationScola, P.M.,Wang, A.X.,Good, A.C.,Sun, L.Q.,Combrink, K.D.,Campbell, J.A.,Chen, J.,Tu, Y.,Sin, N.,Venables, B.L.,Sit, S.Y.,Chen, Y.,Cocuzza, A.,Bilder, D.M.,D'Andrea, S.,Zheng, B.,Hewawasam, P.,Ding, M.,Thuring, J.,Li, J.,Hernandez, D.,Yu, F.,Falk, P.,Zhai, G.,Sheaffer, A.K.,Chen, C.,Lee, M.S.,Barry, D.,Knipe, J.O.,Li, W.,Han, Y.H.,Jenkins, S.,Gesenberg, C.,Gao, Q.,Sinz, M.W.,Santone, K.S.,Zvyaga, T.,Rajamani, R.,Klei, H.E.,Colonno, R.J.,Grasela, D.M.,Hughes, E.,Chien, C.,Adams, S.,Levesque, P.C.,Li, D.,Zhu, J.,Meanwell, N.A.,McPhee, F.
Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57:1708-1729, 2014
Cited by
PubMed: 24555570
DOI: 10.1021/jm401840s
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.2 Å)
Structure validation

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