7D5L

Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection

Summary for 7D5L

• Entry DOI: 10.2210/pdb7d5l/pdb
• Descriptor: NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate, ... (4 entities in total)
• Functional Keywords: ns3/4a protease, viral protein
• Biological source: Hepacivirus C
• Total number of polymer chains: 4
• Total formula weight: 96722.58

Authors

Ghosh, K.,Anumula, R.,Kumar, A. (deposition date: 2020-09-26, release date: 2020-12-16, Last modification date: 2024-03-27)

• Primary citation: Sun, L.Q.,Mull, E.,D'Andrea, S.,Zheng, B.,Hiebert, S.,Gillis, E.,Bowsher, M.,Kandhasamy, S.,Baratam, V.R.,Puttaswamy, S.,Pulicharla, N.,Vishwakrishnan, S.,Reddy, S.,Trivedi, R.,Sinha, S.,Sivaprasad, S.,Rao, A.,Desai, S.,Ghosh, K.,Anumula, R.,Kumar, A.,Rajamani, R.,Wang, Y.K.,Fang, H.,Mathur, A.,Rampulla, R.,Zvyaga, T.A.,Mosure, K.,Jenkins, S.,Falk, P.,Tagore, D.M.,Chen, C.,Rendunchintala, K.,Loy, J.,Meanwell, N.A.,McPhee, F.,Scola, P.M.; Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.; J.Med.Chem., 63:14740-14760, 2020; PubMed: 33226226; DOI: 10.1021/acs.jmedchem.0c01296

Experimental method

X-RAY DIFFRACTION (2.15 Å)