Crystallization (Comment) | Organism |
---|---|
enzyme with inhibitor (4-(4-chlorophenyl)piperazin-1-yl)(morpholino)methanone bound in the actie site, X-ray diffraction structure determination and analysis, docking study and modelling | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(4-(2,4-dichlorophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(2-chlorophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(2-methoxyphenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(3-chlorophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-bromophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chloro-2-(hydroxymethyl)phenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chloro-2-methylphenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chlorobenzoyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chlorobenzyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)-1,4-diazepan-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(1-oxido-4-thiomorpholino)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(4-methylpiperazin-1-yl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(cyclohexyl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(morpholino)methanethione | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(phenyl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(piperidin-1-yl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(pyridin-4-yl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone | - |
Homo sapiens | |
(4-(4-chlorophenyl)piperazin-1-yl)(thiomorpholino)methanone | - |
Homo sapiens | |
(4-(4-ethynylphenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-fluorophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-iodophenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(4-methoxyphenyl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(6-bromopyridin-2-yl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(6-chloropyridin-3-yl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(4-(biphenyl-4-yl)piperazin-1-yl)(morpholino)methanone | - |
Homo sapiens | |
(5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)(morpholino)methanone | - |
Homo sapiens | |
(S)-ibuprofen | - |
Homo sapiens | |
1-(4-(4-(4-chlorophenyl)piperazine-1-carbonyl)piperazin-1-yl)-2-hydroxyethanone | - |
Homo sapiens | |
1-(4-(4-chlorophenyl)piperazine-1-carbonyl)piperidine-4-carboxylic acid | - |
Homo sapiens | |
3-(4-(morpholine-4-carbonyl)piperazin-1-yl)benzamide | - |
Homo sapiens | |
4-((4-(4-chlorophenyl)piperazin-1-yl)sulfonyl)morpholine | - |
Homo sapiens | |
4-(4-(morpholine-4-carbonyl)piperazin-1-yl)benzamide | - |
Homo sapiens | |
4-(4-(morpholine-4-carbonyl)piperazin-1-yl)benzoic acid | - |
Homo sapiens | |
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide | - |
Homo sapiens | |
4-(4-chlorophenyl)-N-phenylpiperazine-1-carboxamide | - |
Homo sapiens | |
4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-thiomorpholine-1,1-dione | - |
Homo sapiens | |
Flufenamic acid | - |
Homo sapiens | |
flurbiprofen | - |
Homo sapiens | |
indomethacin | - |
Homo sapiens | |
Meclofenamic acid | - |
Homo sapiens | |
methyl 4-(4-(morpholine-4-carbonyl)piperazin-1-yl)benzoate | - |
Homo sapiens | |
additional information | high-throughput screening, a series of non-carboxylate morpholino(phenylpiperazin-1-yl)methanones are prepared by palladium-catalysed coupling of substituted phenyl or pyridyl bromides with morpholino(piperazin-1-yl)methanone, and are shown to be potent and very isoform-selective inhibitors of AKR1C3, competitive fluorescence assay, structure-activity relationships, overview | Homo sapiens | |
morpholino(4-(2-(trifluoromethyl)phenyl)piperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino(4-(4-nitrophenyl)piperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino(4-(naphthalen-2-yl)piperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino(4-(o-tolyl)piperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino(4-(p-tolyl)piperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino(4-(quinolin-3-yl)piperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino(4-phenylpiperazin-1-yl)methanone | - |
Homo sapiens | |
morpholino-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone | - |
Homo sapiens | |
N,N-dimethyl-4-(4-(morpholine-4-carbonyl)piperazin-1-yl)benzamide | - |
Homo sapiens | |
N-(4-(4-(morpholine-4-carbonyl)piperazin-1-yl)phenyl)acetamide | - |
Homo sapiens | |
N-(4-(4-(morpholine-4-carbonyl)piperazin-1-yl)phenyl)methanesulfonamide | - |
Homo sapiens | |
N-methyl-4-(4-(morpholine-4-carbonyl)piperazin-1-yl)benzamide | - |
Homo sapiens | |
naproxen | - |
Homo sapiens | |
thiomorpholine | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
testosterone + NADP+ | Homo sapiens | - |
androstenedione + NADPH + H+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P42330 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
HCT-116 cell | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
testosterone + NADP+ | - |
Homo sapiens | androstenedione + NADPH + H+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
AKR1C3 | - |
Homo sapiens |
type 5 17-beta-hydroxysteroid dehydrogenase | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.2 | - |
assay at | Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADP+ | - |
Homo sapiens | |
NADPH | - |
Homo sapiens |