5WEV

Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tyrosine-protein kinase JAK2	polymer	319	37375.3	1	UniProt (O60674) Pfam (PF07714)	Homo sapiens (Human)	Janus kinase 2,JAK-2
2	B (A)	N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide	non-polymer		347.2	1	Chemie (9ZS)
3	C (A)	water	water		18.0	139	Chemie (HOH)

Sequence modifications

A: 833 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 814	-	expression tag
Gly 815	-	expression tag
Ser 816	-	expression tag
Ser 817	-	expression tag
His 818	-	expression tag
His 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag
Ser 824	-	expression tag
Ser 825	-	expression tag
Gly 826	-	expression tag
Leu 827	-	expression tag
Val 828	-	expression tag
Pro 829	-	expression tag
Arg 830	-	expression tag
Gly 831	-	expression tag
Ser 832	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37375.3
Non-Polymers*	Number of molecules	1
	Total formula weight	347.2
All*	Total formula weight	37722.5

*Water molecules are not included.