5UOR

Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Mitogen-activated protein kinase kinase kinase 5	polymer	270	30410.8	2	UniProt (Q99683) Pfam (PF00069)	Homo sapiens (Human)	Apoptosis signal-regulating kinase 1,ASK-1,MAPK/ERK kinase kinase 5,MEKK 5
2	C, E (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	D, F (A, B)	6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one	non-polymer		448.5	2	Chemie (8GV)
4	G, H (A, B)	water	water		18.0	75	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60821.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1089.2
All*	Total formula weight	61910.7

*Water molecules are not included.