6BQK

CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)

Summary for 6BQK

• Entry DOI: 10.2210/pdb6bqk/pdb
• Descriptor: NS3 protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, ZINC ION, ... (4 entities in total)
• Functional Keywords: serine protease, viral protein, hydrolase
• Biological source: Hepatitis C virus
• Total number of polymer chains: 2
• Total formula weight: 48197.96

Authors

Klei, H.E.,Sack, J.S. (deposition date: 2017-11-28, release date: 2018-03-21, Last modification date: 2024-03-13)

• Primary citation: Zheng, B.,D'Andrea, S.V.,Sun, L.Q.,Wang, A.X.,Chen, Y.,Hrnciar, P.,Friborg, J.,Falk, P.,Hernandez, D.,Yu, F.,Sheaffer, A.K.,Knipe, J.O.,Mosure, K.,Rajamani, R.,Good, A.C.,Kish, K.,Tredup, J.,Klei, H.E.,Paruchuri, M.,Ng, A.,Gao, Q.,Rampulla, R.A.,Mathur, A.,Meanwell, N.A.,McPhee, F.,Scola, P.M.; Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.; ACS Med Chem Lett, 9:143-148, 2018; PubMed: 29456803; DOI: 10.1021/acsmedchemlett.7b00503

Experimental method

X-RAY DIFFRACTION (1.97 Å)