7S1N

N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Mitogen-activated protein kinase 10	polymer	464	52649.3	1	UniProt (P53779) Pfam (PF00069) In PDB	Homo sapiens (Human)	MAPK 10,MAP kinase p49 3F12,Stress-activated protein kinase 1b,SAPK1b,Stress-activated protein kinase JNK3,c-Jun N-terminal kinase 3
2	A	4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide	non-polymer		457.9	1	Chemie (86C)
3		water	water		18.0	109	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52649.3
Non-Polymers*	Number of molecules	1
	Total formula weight	457.9
All*	Total formula weight	53107.2

*Water molecules are not included.