3G72

Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Renin	polymer	340	37267.0	2	UniProt (P00797) Pfam (PF00026) In PDB	Homo sapiens (human)	Angiotensinogenase
2	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
3	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	A, B	(1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide	non-polymer		647.0	2	Chemie (A6T)
5		water	water		18.0	590	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74534.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1892.6
All*	Total formula weight	76426.7

*Water molecules are not included.