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Literature summary for 1.1.1.239 extracted from

  • Liedtke, A.J.; Adeniji, A.O.; Chen, M.; Byrns, M.C.; Jin, Y.; Christianson, D.W.; Marnett, L.J.; Penning, T.M.
    Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer (2013), J. Med. Chem., 56, 2429-2446.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.1.1.239

Crystallization (Commentary)

Crystallization (Comment) Organism
NADP+ and 2'-des-methyl-indomethacin is determined at a resolution of 1.8 A by molecular replacement. The cofactor binding cavity of AKR1C3 is not perturbed upon binding of the inhibitor Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(4-chlorophenyl)(5-methoxy-2-methyl-1H-indol-1-yl)methanone
-
 Homo sapiens
2'-des-methyl-indomethacin the cofactor binding cavity of AKR1C3 is not perturbed upon binding of the inhibitor Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(2-methylbenzene-1-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-cyanobenzene-1-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-fluorobenzene-1-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-methoxybenzene-1-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-methylbenzene-1-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-phenoxybenzene-1-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(5-chlorothiophene-2-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(methanesulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(naphthalene-2-sulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(trifluoromethanesulfonyl)acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-[3-(trifluoromethyl)benzene-1-sulfonyl]acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-[4-(propan-2-yl)benzene-1-sulfonyl]acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-[4-(trifluoromethyl)benzene-1-sulfonyl]acetamide
-
 Homo sapiens
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(trifluoromethanesulfonyl)acetamide
-
 Homo sapiens
3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoate
-
 Homo sapiens
3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
-
 Homo sapiens
3-(phenylamino)benzoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-2-ethyl-5-methoxy-1H-indol-3-yl]propanoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-fluoro-2-methyl-1H-indol-3-yl]propanoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]propanoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-2-methylpropanoic acid
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(2-methylbenzene-1-sulfonyl)propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(4-methylbenzene-1-sulfonyl)propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(5-chlorothiophene-2-sulfonyl)propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(methanesulfonyl)-2-methylpropanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(methanesulfonyl)propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(naphthalene-2-sulfonyl)propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(trifluoromethanesulfonyl)propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-[4-(propan-2-yl)benzene-1-sulfonyl]propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-[4-(trifluoromethoxy)benzene-1-sulfonyl]propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-[4-(trifluoromethyl)benzene-1-sulfonyl]propanamide
-
 Homo sapiens
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]propanoic acid
-
 Homo sapiens
4-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]butanoic acid
-
 Homo sapiens
5-methoxy-3-(2-oxobutyl)-1H-indole-1-carboxylic acid
-
 Homo sapiens
6-methoxy-9-[3-(trifluoromethyl)benzoyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
-
 Homo sapiens
9-(4-chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
-
 Homo sapiens
9-(4-chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
-
 Homo sapiens
9-(4-chlorobenzoyl)-N-(methanesulfonyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
-
 Homo sapiens
baccharin
-
 Homo sapiens
indomethacin
-
 Homo sapiens
methyl 5-methoxy-3-(2-oxobutyl)-1H-indole-1-carboxylate
-
 Homo sapiens
methyl [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetate
-
 Homo sapiens
methyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
-
 Homo sapiens
methyl [5-methoxy-1-(4-methoxybenzoyl)-2-methyl-1H-indol-3-yl]acetate
-
 Homo sapiens
methyl [5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl]acetate
-
 Homo sapiens
additional information development of potent and selective indomethacin analogues for the inhibition of AKR1C3 in castrate-resistant prostate cancer, overview. Increasing the length of the aliphatic side chain of indomethacin from -ethyl to -propyl leads to a 2fold reduction in AKR1C3 potency, but the compound retained 257fold selectivity for AKR1C3 over AKR1C2 Homo sapiens
N-(4-acetylbenzene-1-sulfonyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetamide
-
 Homo sapiens
N-(4-acetylbenzene-1-sulfonyl)-3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]propanamide
-
 Homo sapiens
N-(4-bromobenzene-1-sulfonyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetamide
-
 Homo sapiens
N-(4-chlorobenzoyl)-melatonin
-
 Homo sapiens
N-benzoylanthranilic acid
-
 Homo sapiens
N-[2,5-bis(trifluoromethyl)benzene-1-sulfonyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetamide
-
 Homo sapiens
thiazolidinedione
-
 Homo sapiens
[1-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[1-(4-chlorobenzoyl)-5-fluoro-2-methyl-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[1-(4-chlorobenzoyl)-5-methoxy-2-propyl-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[1-(4-fluorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[1-(4-fluorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-fluoro-2-methyl-1-[3-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-methoxy-1-(4-methoxybenzoyl)-2-methyl-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-methoxy-1-[3-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-methoxy-1-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-methoxy-2-methyl-1-[3-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
-
 Homo sapiens
[5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
testosterone + NAD+ Homo sapiens the enzyme shows LNCaP-AKR1C3 mediates formation of testosterone, conversion of 4-androstene-3,17-dione to testosterone androstenedione + NADH + H+
-
 r

Organism

Organism UniProt Comment Textmining
Homo sapiens P42330
-
-

Source Tissue

Source Tissue Comment Organism Textmining
LNCaP cell
-
 Homo sapiens
-
prostate cancer cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
testosterone + NAD+
-
 Homo sapiens androstenedione + NADH + H+
-
 r
testosterone + NAD+ the enzyme shows LNCaP-AKR1C3 mediates formation of testosterone, conversion of 4-androstene-3,17-dione to testosterone Homo sapiens androstenedione + NADH + H+
-
 r

Synonyms

Synonyms Comment Organism
AKR1C3
-
 Homo sapiens
More cf. EC 1.1.1.357 Homo sapiens
type 5 17beta-hydroxysteroid dehydrogenase/prostaglandin F synthase
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
NAD+
-
 Homo sapiens
NADH
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00007
-
 110 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid
0.00007
-
 111 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-(4-chlorobenzoyl)-5-methoxy-2-propyl-1H-indol-3-yl]acetic acid
0.00009
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid
0.0001
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens indomethacin
0.00012
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
0.00012
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid
0.00013
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]propanoic acid
0.00014
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-methoxy-1-(4-methoxybenzoyl)-2-methyl-1H-indol-3-yl]acetic acid
0.00015
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-2-ethyl-5-methoxy-1H-indol-3-yl]propanoic acid
0.00015
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 4-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]butanoic acid
0.00016
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl]acetic acid
0.00016
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 9-(4-chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
0.00021
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(trifluoromethanesulfonyl)acetamide
0.00022
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]propanoic acid
0.00025
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-(4-chlorobenzoyl)-5-fluoro-2-methyl-1H-indol-3-yl]acetic acid
0.00027
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
0.000279
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 6-methoxy-9-[3-(trifluoromethyl)benzoyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
0.00029
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-fluoro-2-methyl-1H-indol-3-yl]propanoic acid
0.00029
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-2-methylpropanoic acid
0.00034
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(methanesulfonyl)propanamide
0.00034
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 9-(4-chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
0.0005
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
0.00071
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-(4-fluorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
0.00074
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(trifluoromethanesulfonyl)acetamide
0.00096
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
0.00108
-
 110 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-methoxy-1-[4-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
0.00111
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-cyanobenzene-1-sulfonyl)acetamide
0.00111
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-[4-(trifluoromethyl)benzene-1-sulfonyl]propanamide
0.00119
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(naphthalene-2-sulfonyl)acetamide
0.00144
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(trifluoromethanesulfonyl)propanamide
0.00194
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens N-[2,5-bis(trifluoromethyl)benzene-1-sulfonyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetamide
0.00207
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-[4-(trifluoromethyl)benzene-1-sulfonyl]acetamide
0.00209
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens N-(4-acetylbenzene-1-sulfonyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetamide
0.00223
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-fluoro-2-methyl-1-[3-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
0.00224
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl [5-methoxy-1-(4-methoxybenzoyl)-2-methyl-1H-indol-3-yl]acetate
0.0024
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 5-methoxy-3-(2-oxobutyl)-1H-indole-1-carboxylic acid
0.00244
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-methoxy-2-methyl-1-[3-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
0.0025
-
 110 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-[4-(trifluoromethoxy)benzene-1-sulfonyl]propanamide
0.00252
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-phenoxybenzene-1-sulfonyl)acetamide
0.00254
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(naphthalene-2-sulfonyl)propanamide
0.00265
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-[3-(trifluoromethyl)benzene-1-sulfonyl]acetamide
0.00265
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens N-(4-acetylbenzene-1-sulfonyl)-3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]propanamide
0.00311
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(4-methylbenzene-1-sulfonyl)propanamide
0.00325
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(2-methylbenzene-1-sulfonyl)propanamide
0.00356
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens (4-chlorophenyl)(5-methoxy-2-methyl-1H-indol-1-yl)methanone
0.00373
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(5-chlorothiophene-2-sulfonyl)acetamide
0.00397
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens N-(4-bromobenzene-1-sulfonyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetamide
0.00469
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-[4-(propan-2-yl)benzene-1-sulfonyl]propanamide
0.00496
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [1-(4-fluorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
0.00507
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 9-(4-chlorobenzoyl)-N-(methanesulfonyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
0.00521
-
 111 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens [5-methoxy-1-[3-(trifluoromethyl)benzoyl]-1H-indol-3-yl]acetic acid
0.00553
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-[1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol-2-yl]-N-(methanesulfonyl)-2-methylpropanamide
0.00564
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
0.0058
-
 111 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-methoxybenzene-1-sulfonyl)acetamide
0.00634
-
 110 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-[4-(propan-2-yl)benzene-1-sulfonyl]acetamide
0.00754
-
 110 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl [5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl]acetate
0.00759
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl [5-methoxy-1-(4-methoxybenzoyl)-2-methyl-1H-indol-3-yl]acetate
0.00786
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-fluorobenzene-1-sulfonyl)acetamide
0.00882
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(2-methylbenzene-1-sulfonyl)acetamide
0.01134
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetate
0.012
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(methanesulfonyl)acetamide
0.0124
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 2-[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]-N-(4-methylbenzene-1-sulfonyl)acetamide
0.01571
-
 111 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl [5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl]acetate
0.02278
-
 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens methyl 5-methoxy-3-(2-oxobutyl)-1H-indole-1-carboxylate
0.1
-
 above, 100 mM Tris-HCl buffer, 37°C, pH not specified in the publication Homo sapiens 3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid

General Information

General Information Comment Organism
additional information the structure of the AKR1C3-NADP+ complex is solved by molecular replacement, overview Homo sapiens
physiological function AKR1C3 catalyzes the conversion of the weak androgen precursors 4-androstene-3,17-dione and 5alpha-androstane-3,17-dione to the potent androgens testosterone and 5alpha-dihydrotestosterone (DHT), respectively, and is one of the most highly upregulated genes in castrate-resistant prostate cancer, CRPC Homo sapiens