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Literature summary 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

Cloned(Commentary)

EC Number Cloned (Comment) Organism
1.14.11.67
-
 Homo sapiens

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.14.11.67 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

EC Number Inhibitors Comment Organism Structure
1.14.11.67 (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
1.14.11.67 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)-ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
-
 Homo sapiens
1.14.11.67 2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]-pyridine-7-carboxylic acid 2-oxoglutarate-competitive inhibition Homo sapiens
1.14.11.67 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
-
 Homo sapiens
1.14.11.67 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)-pyrimidin-4-yl)amino)propanoic acid
-
 Homo sapiens
1.14.11.67 CPI-455
-
 Homo sapiens
1.14.11.67 ethyl 2-([(2-([2-(dimethylamino)ethyl](ethyl)amino)-2-oxoethyl)amino]methyl)pyridine-4-carboxylate KDM5-C70 Homo sapiens
1.14.11.67 KDOAM-25
-
 Homo sapiens
1.14.11.67 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)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.14.11.67 [histone H3]-N6,N6,N6-trimethyl-L-lysine4 + 2-oxoglutarate + O2 Homo sapiens
-
 [histone H3]-N6,N6-dimethyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
1.14.11.67 [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
-
 ?
1.14.11.67 [histone H3]-N6,N6-dimethyl-L-lysine4 + 2-oxoglutarate + O2 Homo sapiens
-
 [histone H3]-N6-methyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
1.14.11.67 [histone H3]-N6-methyl-L-lysine4 + 2-oxoglutarate + O2 Homo sapiens
-
 [histone H3]-L-lysine4 + succinate + formaldehyde + CO2
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
1.14.11.67 Homo sapiens
-
-
-

Purification (Commentary)

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

Source Tissue

EC Number Source Tissue Comment Organism Textmining
1.14.11.67 BT-474 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.14.11.67 [histone H3]-N6,N6,N6-trimethyl-L-lysine4 + 2-oxoglutarate + O2
-
 Homo sapiens [histone H3]-N6,N6-dimethyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
1.14.11.67 [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
-
 ?
1.14.11.67 [histone H3]-N6,N6-dimethyl-L-lysine4 + 2-oxoglutarate + O2
-
 Homo sapiens [histone H3]-N6-methyl-L-lysine4 + succinate + formaldehyde + CO2
-
 ?
1.14.11.67 [histone H3]-N6-methyl-L-lysine4 + 2-oxoglutarate + O2
-
 Homo sapiens [histone H3]-L-lysine4 + succinate + formaldehyde + CO2
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.14.11.67 KDM5A
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.14.11.67 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
1.14.11.67 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
1.14.11.67 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
1.14.11.67 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
1.14.11.67 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
1.14.11.67 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