Literature summary for 2.8.1.2 extracted from

Hanaoka, K.; Sasakura, K.; Suwanai, Y.; Toma-Fukai, S.; Shimamoto, K.; Takano, Y.; Shibuya, N.; Terai, T.; Komatsu, T.; Ueno, T.; Ogasawara, Y.; Tsuchiya, Y.; Watanabe, Y.; Kimura, H.; Wang, C.; Uchiyama, M.; Kojima, H.; Okabe, T.; Urano, Y.; Shimizu, T.; Nagano, T.
Discovery and mechanistic characterization of selective inhibitors of H2S-producing enzyme 3-mercaptopyruvate sulfurtransferase (3MST) targeting active-site cysteine persulfide (2017), Sci. Rep., 7, 40227 .

Application

Application	Comment	Organism
analysis	high-throughput screening of a large chemical library with a H2S-selective fluorescent probe, HSip-1, based on azamacrocyclic Cu2+ complex chemistry. HSip-1 can detect H2S in aqueous solution with high selectivity over biothiols, inorganic sulfur compounds, reactive oxygen species and reactive nitrogen species	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
in complex with inhibitors 2-[2-[(4-oxo-3,4,4a,8a-tetrahydroquinazolin-2-yl)sulfanyl]acetamido]thiophene-3-carboxamide and 2-[[2-(1,4-dihydronaphthalen-1-yl)-2-oxoethyl]sulfanyl]-6-methylpyrimidin-4(3H)-one. Persulfurated residue C248 interacts with the 4-pyrimidone-like aromatic ring of both compounds, and direct hydrogen bonding by R188 and S250 and water-mediated hydrogen bonding by E195 and R197 are observed	Homo sapiens

Crystallization (Comment)

Organism

in complex with inhibitors 2-[2-[(4-oxo-3,4,4a,8a-tetrahydroquinazolin-2-yl)sulfanyl]acetamido]thiophene-3-carboxamide and 2-[[2-(1,4-dihydronaphthalen-1-yl)-2-oxoethyl]sulfanyl]-6-methylpyrimidin-4(3H)-one. Persulfurated residue C248 interacts with the 4-pyrimidone-like aromatic ring of both compounds, and direct hydrogen bonding by R188 and S250 and water-mediated hydrogen bonding by E195 and R197 are observed

Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
1-(2,4-dihydroxyphenyl)-2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethan-1-one	more than 80% inhibition at 0.01 mM	Homo sapiens
2-[2-[(4-oxo-3,4,4a,8a-tetrahydroquinazolin-2-yl)sulfanyl]acetamido]thiophene-3-carboxamide	more than 80% inhibition at 0.01 mM	Homo sapiens
2-[[2-(1,4-dihydronaphthalen-1-yl)-2-oxoethyl]sulfanyl]-6-methylpyrimidin-4(3H)-one	more than 80% inhibition at 0.01 mM, almost inactive towards cystathionine gamma-lyase and cystathionine beta-synthase, very low inhibiution of thiosulfate sulfurtransferase, Type II	Homo sapiens
3-[(benzenesulfonyl)amino]benzoic acid	more than 80% inhibition at 0.01 mM	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P25325	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
HEK-293 cell	-	Homo sapiens	-

Synonyms

Synonyms	Comment	Organism
3MST	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.0017	-	pH 7.4, 23°C	Homo sapiens	2-[2-[(4-oxo-3,4,4a,8a-tetrahydroquinazolin-2-yl)sulfanyl]acetamido]thiophene-3-carboxamide
0.0027	-	pH 7.4, 23°C	Homo sapiens	2-[[2-(1,4-dihydronaphthalen-1-yl)-2-oxoethyl]sulfanyl]-6-methylpyrimidin-4(3H)-one
0.0057	-	pH 7.4, 23°C	Homo sapiens	3-[(benzenesulfonyl)amino]benzoic acid
0.0063	-	pH 7.4, 23°C	Homo sapiens	1-(2,4-dihydroxyphenyl)-2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethan-1-one