Literature summary for 3.4.21.117 extracted from

Murafuji, H.; Muto, T.; Goto, M.; Imajo, S.; Sugawara, H.; Oyama, Y.; Minamitsuji, Y.; Miyazaki, S.; Murai, K.; Fujioka, H.
Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors (2019), Bioorg. Med. Chem. Lett., 29, 334-338 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
in complex with inhibitor 1-(2-chlorobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole. 2-Chlorobenzene inserts into the S1 pocket, the methyl group on the imidazoline ring is located at the S2 site composed of side chains of His99, Asp102, His57, and Ser214	Mus musculus

Inhibitors

Inhibitors	Comment	Organism	Structure
1-(2-bromobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole	-	Homo sapiens
1-(2-bromobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole	-	Mus musculus
1-(2-chlorobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole	-	Homo sapiens
1-(2-chlorobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole	-	Mus musculus

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P49862	-	-
Mus musculus	Q91VE3	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00039	-	pH not specified in the publication, temperature not specified in the publication	Homo sapiens	1-(2-bromobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole
0.0004	-	pH not specified in the publication, temperature not specified in the publication	Mus musculus	1-(2-bromobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole
0.0012	-	pH not specified in the publication, temperature not specified in the publication	Homo sapiens	1-(2-chlorobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole
0.0015	-	pH not specified in the publication, temperature not specified in the publication	Mus musculus	1-(2-chlorobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole

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Release 2023.1 (January 2023)