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Literature summary for 3.1.4.1 extracted from

  • Li-Zhulanov, N.S.; Zakharenko, A.L.; Chepanova, A.A.; Patel, J.; Zafar, A.; Volcho, K.P.; Salakhutdinov, N.F.; Reynisson, J.; Leung, I.K.H.; Lavrik, O.I.
    A novel class of tyrosyl-DNA phosphodiesterase 1 inhibitors that contains the octahydro-2H-chromen-4-ol scaffold (2018), Molecules, 23, E2468 .
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli BL21(DE3) cells Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(2R,4R,4aR,7R,8aS)-4,7-dimethyl-2-(5-aminothiophen-2-yl)octahydro-2H-chromen-4-ol
-
Homo sapiens
(2R,4S,4aR,7R,8aS)-4,7-dimethyl-2-(5-aminothiophen-2-yl)octahydro-2H-chromen-4-ol
-
Homo sapiens
2,2,2-trifluoro-N-(5-((2R,4R,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
-
Homo sapiens
2,2,2-trifluoro-N-(5-((2R,4S,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
-
Homo sapiens
6,6'-[(1R,2R,3S,4S)-2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-diyl]di(2H-pyran-2-one)
-
Homo sapiens
7-[[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
-
Homo sapiens
furamidine
-
Homo sapiens
N-(3,7-dimethyloct-6-en-1-yl)tricyclo[3.3.1.1(3,7)]decan-2-amine
-
Homo sapiens
N-(5-((2R,4R,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
-
Homo sapiens
N-(5-((2R,4R,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)benzamide
-
Homo sapiens
N-(5-((2R,4R,4aR,7R,8aS)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)adamantane-1-carboxamide
-
Homo sapiens
N-(5-((2R,4S,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
-
Homo sapiens
N-(5-((2R,4S,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2yl)benzamide
-
Homo sapiens
N-(5-((2R,4S,4aR,7R,8aS)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)adamantane-1-carboxamide
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens Q9NUW8
-
-

Purification (Commentary)

Purification (Comment) Organism
Ni-chelating resin column chromatography and phosphocellulose P11 column chromatography Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
5'-(5,6-FAM-aacgtcagggtcttcc-BHQ1)-3' + H2O
-
Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
TDP1
-
Homo sapiens
tyrosyl-DNA phosphodiesterase 1
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000675
-
at pH 8.0 and 26°C Homo sapiens 7-[[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
0.001
-
at pH 8.0 and 26°C Homo sapiens 6,6'-[(1R,2R,3S,4S)-2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-diyl]di(2H-pyran-2-one)
0.0012
-
at pH 8.0 and 26°C Homo sapiens furamidine
0.00124
-
at pH 8.0 and 26°C Homo sapiens N-(5-((2R,4S,4aR,7R,8aS)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)adamantane-1-carboxamide
0.0014
-
at pH 8.0 and 26°C Homo sapiens 2,2,2-trifluoro-N-(5-((2R,4S,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
0.0028
-
at pH 8.0 and 26°C Homo sapiens N-(5-((2R,4R,4aR,7R,8aS)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)adamantane-1-carboxamide
0.0029
-
at pH 8.0 and 26°C Homo sapiens N-(5-((2R,4R,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
0.0033
-
at pH 8.0 and 26°C Homo sapiens N-(5-((2R,4R,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)benzamide
0.0035
-
at pH 8.0 and 26°C Homo sapiens N-(3,7-dimethyloct-6-en-1-yl)tricyclo[3.3.1.1(3,7)]decan-2-amine
0.004
-
at pH 8.0 and 26°C Homo sapiens 2,2,2-trifluoro-N-(5-((2R,4R,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
0.005
-
at pH 8.0 and 26°C Homo sapiens N-(5-((2R,4S,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2yl)benzamide
0.0058
-
at pH 8.0 and 26°C Homo sapiens N-(5-((2R,4S,4aR,7R,8aR)-4-hydroxy-4,7-dimethyloctahydro-2H-chromen-2-yl)thiophen-2-yl)acetamide
0.015
-
at pH 8.0 and 26°C Homo sapiens (2R,4R,4aR,7R,8aS)-4,7-dimethyl-2-(5-aminothiophen-2-yl)octahydro-2H-chromen-4-ol
0.015
-
at pH 8.0 and 26°C Homo sapiens (2R,4S,4aR,7R,8aS)-4,7-dimethyl-2-(5-aminothiophen-2-yl)octahydro-2H-chromen-4-ol