Crystallization (Comment) | Organism |
---|---|
in complex with inhibitors 3-hydroxymethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline, 7-bromo-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline, 3-hydroxyethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline, 3-hydroxypropyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | high selectivity | Homo sapiens | |
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | very high selectivity | Homo sapiens | |
3-(fluoromethyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline | high selectivity | Homo sapiens | |
3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | very high selectivity | Homo sapiens | |
3-butyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
3-ethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | moderate selectivity | Homo sapiens | |
3-ethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens | |
3-ethyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | moderate selectivity | Homo sapiens | |
3-hydroxyethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens | |
3-hydroxymethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | high selectivity | Homo sapiens | |
3-hydroxypropyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens | |
3-isopropyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
3-methyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
3-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | high selectivity | Homo sapiens | |
3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | high selectivity | Homo sapiens | |
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | high selectivity | Homo sapiens | |
3-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | high selectivity | Homo sapiens | |
3-propyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | moderate selectivity | Homo sapiens | |
7-bromo-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens | |
7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline | high selectivity | Homo sapiens | |
7-bromo-3-butyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-bromo-3-ethyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-bromo-3-hydroxyethyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-bromo-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens | |
7-bromo-3-hydroxypropyl-1,2,3,4-tetrahydroisoquinoline | little selcetivity | Homo sapiens | |
7-bromo-3-isopropyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens | |
7-bromo-3-pentyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-bromo-3-propyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-nitro-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-nitro-3-pentyl-1,2,3,4-tetrahydroisoquinoline | little selectivity | Homo sapiens | |
7-nitro-3-propyl-1,2,3,4-tetrahydroisoquinoline | moderate selectivity | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
recombinant enzyme | - |
Homo sapiens | - |
recombinant enzyme with C-terminal His6 tag | - |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000012 | - |
7-bromo-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0 | Homo sapiens | |
0.000017 | - |
7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.000023 | - |
7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.000034 | - |
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.000047 | - |
3-hydroxymethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0 | Homo sapiens | |
0.000056 | - |
7-bromo-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.000072 | - |
3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.000077 | - |
3-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.00012 | - |
7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00012 | - |
3-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.00013 | - |
3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.00015 | - |
3-(fluoromethyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00015 | - |
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.00028 | - |
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.00035 | - |
7-bromo-3-hydroxyethyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0 | Homo sapiens | |
0.00048 | - |
7-bromo-3-ethyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00048 | - |
7-bromo-3-propyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00049 | - |
3-ethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00051 | - |
3-hydroxyethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0 | Homo sapiens | |
0.00051 | - |
3-ethyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.00053 | - |
7-nitro-3-propyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00082 | - |
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.00092 | - |
3-propyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.0014 | - |
3-hydroxypropyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0 | Homo sapiens | |
0.0014 | - |
3-methyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.0017 | - |
7-bromo-3-hydroxypropyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0 | Homo sapiens | |
0.0018 | - |
3-ethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | pH 8.0, 37°C | Homo sapiens | |
0.0044 | - |
7-bromo-3-isopropyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.0046 | - |
3-isopropyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.0066 | - |
3-butyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.0076 | - |
7-bromo-3-butyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.0098 | - |
7-nitro-3-pentyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens | |
0.011 | - |
7-bromo-3-pentyl-1,2,3,4-tetrahydroisoquinoline | pH 8.0, 37°C | Homo sapiens |