2G20

Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring

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	333	36566.2	2	UniProt (P00797) Pfam (PF00026) In PDB	Homo sapiens (human)	Angiotensinogenase
2	A, B	N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE	non-polymer		706.9	2	Chemie (L1A)
3		water	water		18.0	103	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73132.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1413.8
All*	Total formula weight	74546.3

*Water molecules are not included.