4JNM

Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties

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)	Nicotinamide phosphoribosyltransferase	polymer	501	56942.4	2	UniProt (P43490) Pfam (PF18127) Pfam (PF04095)	Homo sapiens (human)	NAmPRTase, Nampt, Pre-B-cell colony-enhancing factor 1, Pre-B cell-enhancing factor, Visfatin
2	C, K (A, B)	1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea	non-polymer		382.4	2	Chemie (1LJ)
3	D, E, L, M (A, B)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	F, G, H, I, J... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
5	S, T (A, B)	water	water		18.0	603	Chemie (HOH)

Sequence modifications

A, B: 1 - 491 (UniProt: P43490)

PDB	External Database	Details
Leu 492	-	expression tag
Glu 493	-	expression tag
His 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	113884.8
Non-Polymers*	Number of molecules	16
	Total formula weight	1765.4
All*	Total formula weight	115650.2

*Water molecules are not included.