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Literature summary for 3.4.21.B10 extracted from

  • Liang, G.; Chen, X.; Aldous, S.; Pu, S.F.; Mehdi, S.; Powers, E.; Xia, T.; Wang, R.
    Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening (2012), Bioorg. Med. Chem. Lett., 22, 2450-2455.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
purified enzyme bound to inhibitor 9b, X-ray diffraction structure determination and analysis at 1.68 A resolution Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
2-benzyl 1-[3-[(benzyloxy)carbonyl]phenyl] (2S,3S)-3-(4-hydroxybenzyl)-4-oxoazetidine-1,2-dicarboxylate
-
Homo sapiens
2-[5-(5-carbamimidoyl-1H-benzimidazol-2-yl)-3'-carbamoyl-6-hydroxybiphenyl-3-yl]butanedioic acid
-
Homo sapiens
2-[[4-(aminomethyl)phenyl]carbamoyl]-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium crystal structure analysis of enzyme bound to inhibitor 2-[[4-(aminomethyl)phenyl]carbamoyl]-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium, two adjacent beta-barrels connected with several alpha helices and turns, overview Homo sapiens
3-[[N-[[4-(aminomethyl)cyclohexyl]carbonyl]-O-(pyrimidin-2-yl)tyrosyl]amino]benzoic acid
-
Homo sapiens
4,4'-[benzene-1,4-diylbis(methanediyloxy)]bis(3-iodobenzenecarboximidamide)
-
Homo sapiens
4,4'-[pentane-1,5-diylbis(oxy)]bis(3,5-dibromobenzenecarboximidamide)
-
Homo sapiens
4-amino-N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide
-
Homo sapiens
additional information enzyme inhibitors with a para-amidobenzylanmine P1 group and a 2-hydroxybenzamide scaffold linker identified through virtual screening, The tertiary folding of the enzyme complexed with the inhibitor, overview Homo sapiens
N-[4-(aminomethyl)phenyl]-2-hydroxy-3-methoxybenzamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-3-chloro-2-hydroxybenzamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-3-[(1-benzyl-1H-imidazol-2-yl)methoxy]pyridine-2-carboxamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-4-(dimethylamino)-2-hydroxybenzamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-4-chloro-2-hydroxybenzamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide
-
Homo sapiens
N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide
-
Homo sapiens
[(4R,7R,10R,13S,16S)-10-(4-aminobutyl)-18-(benzyloxy)-13,16-bis(hydroxymethyl)-2-methyl-7-(2-methylpropyl)-6,9,12,15,18-pentaoxooctadecan-4-yl]boronic acid
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens Q92876
-
-

Synonyms

Synonyms Comment Organism
hK6
-
Homo sapiens
kallikrein 6
-
Homo sapiens
KLK6
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0003
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide
0.0018
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-3-[(1-benzyl-1H-imidazol-2-yl)methoxy]pyridine-2-carboxamide
0.0018
-
pH and temperature not specified in the publication Homo sapiens 2-[[4-(aminomethyl)phenyl]carbamoyl]-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium
0.0038
-
pH and temperature not specified in the publication Homo sapiens 4-amino-N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide
0.0078
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-4-chloro-2-hydroxybenzamide
0.0086
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-2-hydroxy-3-methoxybenzamide
0.0106
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-4-(dimethylamino)-2-hydroxybenzamide
0.0129
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide
0.0135
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-3-chloro-2-hydroxybenzamide
0.0206
-
pH and temperature not specified in the publication Homo sapiens N-[4-(aminomethyl)phenyl]-2-hydroxy-4-methoxybenzamide