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Literature summary for 4.2.1.1 extracted from

  • Kuecuekbay, F.Z.; Bugday, N.; Kuecuekbay, H.; Tanc, M.; Supuran, C.T.
    Synthesis, characterization and carbonic anhydrase inhibitory activity of novel benzothiazole derivatives (2016), J. Enzyme Inhib. Med. Chem., 31, 1221-1225 .
    View publication on PubMed
Search for more literature for 4.2.1.1

Inhibitors

Inhibitors Comment Organism Structure
(S)-2-(2-ammoniopropanamido)-4-methylbenzo[d]thiazol-3-ium di-2,2,2-trifluoroacetate
-
 Homo sapiens
(S)-benzyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxopropan-2-yl)carbamate
-
 Homo sapiens
(S)-benzyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate
-
 Homo sapiens
(S)-tert-butyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
-
 Homo sapiens
(S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
-
 Homo sapiens
(S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate
-
 Homo sapiens
(S)-tert-butyl (1-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
-
 Homo sapiens
acetazolamide
-
 Homo sapiens
Benzyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate
-
 Homo sapiens
benzyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate
-
 Homo sapiens
benzyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate
-
 Homo sapiens
additional information benzothiazole derivative inhibitor synthesis, overview; benzothiazole derivative inhibitor synthesis, overview. No inhibition by benzyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, (S)-tert-butyl (1-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, benzyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate, (S)-benzyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, benzyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)-carbamate, (S)-benzyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, and (S)-2-(2-ammoniopropanamido)-4-methylbenzo[d]thiazol-3-ium di-2,2,2-trifluoroacetate; benzothiazole derivative inhibitor synthesis, overview. No inhibition by benzyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, (S)-tert-butyl (1-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, (S)-tert-butyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, benzyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)-carbamate, (S)-benzyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, and (S)-2-(2-ammoniopropanamido)-4-methylbenzo[d]thiazol-3-ium di-2,2,2-trifluoroacetate; inhibitor synthesis, overview. No inhibition by benzyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, (S)-tert-butyl (1-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, benzyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate, (S)-benzyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, benzyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate, tert-butyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)-carbamate, (S)-benzyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate, (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, and (S)-2-(2-ammoniopropanamido)-4-methylbenzo[d]thiazol-3-ium di-2,2,2-trifluoroacetate Homo sapiens
tert-butyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate
-
 Homo sapiens
tert-butyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)-carbamate
-
 Homo sapiens
tert-butyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
cytosol
-
 Homo sapiens 5829
-

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ required, metalloenzyme Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
H2CO3 Homo sapiens
-
 CO2 + H2O
-
 r

Organism

Organism UniProt Comment Textmining
Homo sapiens O43570
-
-
Homo sapiens P00915
-
-
Homo sapiens P00918
-
-
Homo sapiens P22748
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
H2CO3
-
 Homo sapiens CO2 + H2O
-
 r

Synonyms

Synonyms Comment Organism
hCA I
-
 Homo sapiens
HCA II
-
 Homo sapiens
hCA IV
-
 Homo sapiens
hCA XII
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
22
-
 assay at room temperature Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
additional information
-
 additional information inhibition assay using the CO2 hydration activity measurement Homo sapiens
0.000006
-
 acetazolamide pH 7.5, 22°C Homo sapiens
0.000012
-
 acetazolamide pH 7.5, 22°C Homo sapiens
0.000074
-
 acetazolamide pH 7.5, 22°C Homo sapiens
0.00025
-
 acetazolamide pH 7.5, 22°C Homo sapiens
0.005
-
 (S)-benzyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxopropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
0.0066
-
 tert-butyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.0084
-
 tert-butyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.0102
-
 Benzyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.0454
-
 (S)-tert-butyl (1-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
0.0675
-
 benzyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.0711
-
 (S)-benzyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxopropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
0.0726
-
 (S)-benzyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
0.0782
-
 tert-butyl (2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.0847
-
 (S)-tert-butyl (1-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
0.0859
-
 tert-butyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.086
-
 (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxopropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
0.0868
-
 benzyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens
0.0888
-
 tert-butyl (2-((4-methylbenzo[d]thiazol-2-yl)amino)-2-oxoethyl)-carbamate pH 7.5, 22°C Homo sapiens
4.1
-
 (S)-2-(2-ammoniopropanamido)-4-methylbenzo[d]thiazol-3-ium di-2,2,2-trifluoroacetate pH 7.5, 22°C Homo sapiens
4.1
-
 (S)-tert-butyl (1-((4-methylbenzo[d]thiazol-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate pH 7.5, 22°C Homo sapiens
4.1
-
 Benzyl (2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-2-oxoethyl)carbamate pH 7.5, 22°C Homo sapiens