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Literature summary for 1.14.11.67 extracted from

  • Horton, J.R.; Woodcock, C.B.; Chen, Q.; Liu, X.; Zhang, X.; Shanks, J.; Rai, G.; Mott, B.T.; Jansen, D.J.; Kales, S.C.; Henderson, M.J.; Cyr, M.; Pohida, K.; Hu, X.; Shah, P.; Xu, X.; Jadhav, A.; Maloney, D.J.; Hall, M.D.; Simeonov, A.; Fu, H.; Vertino, P.M.; Cheng, X.
    Structure-based engineering of irreversible inhibitors against histone lysine demethylase KDM5A (2018), J. Med. Chem., 61, 10588-10601 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.14.11.67

Cloned(Commentary)

Cloned (Comment) Organism
-
 Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
N-terminal fragments of the enzyme in complex with inhibitors, sitting drop vapor diffusion method, using 1.2-1.35 M (NH4)2SO4, 0.1 M Tris-HCl (pH 8.6-9.2), 0-20% (v/v) glycerol and 25 mM (Na/K) dibasic/monobasic phosphate Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(E)-2-((3-(4-(dimethylamino)but-2-enamido)-phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
-
 Homo sapiens
2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)-ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
-
 Homo sapiens
2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]-pyridine-7-carboxylic acid 2-oxoglutarate-competitive inhibition Homo sapiens
3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
-
 Homo sapiens
3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)-pyrimidin-4-yl)amino)propanoic acid
-
 Homo sapiens
CPI-455
-
 Homo sapiens
ethyl 2-([(2-([2-(dimethylamino)ethyl](ethyl)amino)-2-oxoethyl)amino]methyl)pyridine-4-carboxylate KDM5-C70 Homo sapiens
KDOAM-25
-
 Homo sapiens
N-[2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-4-yl]-beta-alanine GSK-J1 Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
[histone H3]-N6,N6,N6-trimethyl-L-lysine4 + 2-oxoglutarate + O2 Homo sapiens
-
 [histone H3]-N6,N6-dimethyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
[histone H3]-N6,N6,N6-trimethyl-L-lysine4 + 3 2-oxoglutarate + 3 O2 Homo sapiens overall reaction [histone H3]-L-lysine4 + 3 succinate + 3 formaldehyde + 3 CO2
-
 ?
[histone H3]-N6,N6-dimethyl-L-lysine4 + 2-oxoglutarate + O2 Homo sapiens
-
 [histone H3]-N6-methyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
[histone H3]-N6-methyl-L-lysine4 + 2-oxoglutarate + O2 Homo sapiens
-
 [histone H3]-L-lysine4 + succinate + formaldehyde + CO2
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Purification (Commentary)

Purification (Comment) Organism
affinity column chromatography, anion exchange column chromatography, and gel filtration Homo sapiens

Source Tissue

Source Tissue Comment Organism Textmining
BT-474 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
[histone H3]-N6,N6,N6-trimethyl-L-lysine4 + 2-oxoglutarate + O2
-
 Homo sapiens [histone H3]-N6,N6-dimethyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
[histone H3]-N6,N6,N6-trimethyl-L-lysine4 + 3 2-oxoglutarate + 3 O2 overall reaction Homo sapiens [histone H3]-L-lysine4 + 3 succinate + 3 formaldehyde + 3 CO2
-
 ?
[histone H3]-N6,N6-dimethyl-L-lysine4 + 2-oxoglutarate + O2
-
 Homo sapiens [histone H3]-N6-methyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
[histone H3]-N6-methyl-L-lysine4 + 2-oxoglutarate + O2
-
 Homo sapiens [histone H3]-L-lysine4 + succinate + formaldehyde + CO2
-
 ?

Synonyms

Synonyms Comment Organism
KDM5A
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00022
-
 pH and temperature not specified in the publication Homo sapiens (E)-2-((3-(4-(dimethylamino)but-2-enamido)-phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
0.00032
-
 pH and temperature not specified in the publication Homo sapiens 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)-ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
0.00049
-
 pH and temperature not specified in the publication Homo sapiens 2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]-pyridine-7-carboxylic acid
0.071
-
 pH and temperature not specified in the publication Homo sapiens 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)-pyrimidin-4-yl)amino)propanoic acid
0.083
-
 pH and temperature not specified in the publication Homo sapiens 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
0.11
-
 pH and temperature not specified in the publication Homo sapiens N-[2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-4-yl]-beta-alanine