Literature summary for 3.4.22.56 extracted from

Sakai, J.; Yoshimori, A.; Nose, Y.; Mizoroki, A.; Okita, N.; Takasawa, R.; Tanuma, S.
Structure-based discovery of a novel non-peptidic small molecular inhibitor of caspase-3 (2008), Bioorg. Med. Chem., 16, 4854-4859.

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Inhibitors

Inhibitors	Comment	Organism	Structure
1,4-dihydroxy-2-naphthoic acid	-	Homo sapiens
4-(ethoxycarbonylmethoxy)-1-hydroxy-2-naphthoic acid	CS4566, a caspase-3-specific small molecular inhibitor, binding mode, overview	Homo sapiens
Ac-DNLD-CHO	from rational computational design, the inhibitor is specific due to the specific interaction of the NLD moiety with the active site of caspase-3, docking mode and site-directed mutagenesis analysis. In the active site of caspase-3, Asn in Ac-DNLDCHO specifically interacts with Ser209 in the S3 subsite, and Leu tightly interacts with the hydrophobic S2 subsite, overview	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
commercial preparation	recombinant enzyme	Homo sapiens	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0136	-	-	Homo sapiens	CS4566

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Release 2023.1 (January 2023)