7D5L

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D, E	NS3/4A Protease	polymer	219	23261.3	4	Pfam (PF02907) UniProt (by SIFTS) (A0A0B4WYC6) In PDB	Hepacivirus C
2	A, B, D, E	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	A, B, D, E	[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	non-polymer		853.9	4	Chemie (GXO)
4		water	water		18.0	178	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	93045.3
Non-Polymers*	Number of molecules	8
	Total formula weight	3677.3
All*	Total formula weight	96722.6

*Water molecules are not included.