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Literature summary for 3.4.22.38 extracted from

  • Ravikumar, M.; Pavan, S.; Bairy, S.; Pramod, A.B.; Sumakanth, M.; Kishore, M.; Sumithra, T.
    Virtual screening of cathepsin K inhibitors using docking and pharmacophore models (2008), Chem. Biol. Drug Des., 72, 79-90.
    View publication on PubMed
Search for more literature for 3.4.22.38

Application

Application Comment Organism
drug development the enzyme is a drug target in the treatment of osteoporosis Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
3-bromo-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide moderate inhibition Homo sapiens
4'-(4-tert-butylpiperazin-1-yl)-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]biphenyl-4-carboxamide strong inhibition Homo sapiens
4'-[4-(tert-butylamino)piperidin-1-yl]-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]biphenyl-4-carboxamide strong inhibition Homo sapiens
4-amino-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide moderate inhibition Homo sapiens
4-bromo-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide moderate inhibition Homo sapiens
4-cyano-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide moderate inhibition Homo sapiens
4-[2-(1,4'-bipiperidin-1'-yl)-1,3-thiazol-4-yl]-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide strong inhibition Homo sapiens
4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide strong inhibition Homo sapiens
4-[2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazol-4-yl]-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]benzamide strong inhibition Homo sapiens
5-bromo-N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]thiophene-2-carboxamide moderate inhibition Homo sapiens
benzyl (2S,3R)-1-(cyanomethylamino)-3-hydroxy-1-oxobutan-2-ylcarbamate weak inhibition Homo sapiens
benzyl (2S,3S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-ylcarbamate weak inhibition Homo sapiens
benzyl [(1S)-1-[(cyanomethyl)carbamoyl]-2,2-dimethylpropyl]carbamate weak inhibition Homo sapiens
benzyl [(1S)-2-[(cyanomethyl)amino]-1-(naphthalen-2-ylmethyl)-2-oxoethyl]carbamate weak inhibition Homo sapiens
benzyl [1-[(cyanomethyl)carbamoyl]cyclohexyl]carbamate moderate inhibition Homo sapiens
benzyl [1-[(cyanomethyl)carbamoyl]cyclopentyl]carbamate weak inhibition Homo sapiens
additional information construction of a three-dimensional pharmacophore model for cathepsin K inhibitor screening and development using the enzyme crystal structure complexed with a ketoamide inhibitor, docking and inhibitor binding structure, validation of pharmacophore hypothesis, overview Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide moderate inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-(4-fluoropiperidin-4-yl)biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-(dimethylamino)biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-(piperazin-1-ylsulfonyl)biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-isoxazol-5-ylbiphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-piperazin-1-ylbiphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[(1-methylpiperidin-3-yl)oxy]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[(1-methylpiperidin-4-yl)oxy]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[methyl(1-methylpyrrolidin-3-yl)amino]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[[1-(2-hydroxyethyl)piperidin-4-yl]oxy]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[[1-(2-methoxyethyl)piperidin-4-yl]oxy]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4'-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl]biphenyl-4-carboxamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-(2-[4-[(1-methylethyl)amino]piperidin-1-yl]-1,3-thiazol-4-yl)benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-(2-[4-[methyl(1-methylethyl)amino]piperidin-1-yl]-1,3-thiazol-4-yl)benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-morpholin-4-ylbenzamide moderate inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[(4-methylpiperazin-1-yl)carbonyl]benzamide moderate inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[(4-methylpiperazin-1-yl)sulfonyl]benzamide moderate inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-(piperidin-4-yloxy)-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-[4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]-4-[2-[methyl(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzamide strong inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]biphenyl-3-carboxamide moderate inhibition Homo sapiens
N-[1-[(cyanomethyl)carbamoyl]cyclohexyl]biphenyl-4-carboxamide moderate inhibition Homo sapiens
N2-[(benzyloxy)carbonyl]-N-(cyanomethyl)-2-methylleucinamide weak inhibition Homo sapiens
N2-[(benzyloxy)carbonyl]-N-(cyanomethyl)-4-methyl-L-leucinamide moderate inhibition Homo sapiens
N2-[(benzyloxy)carbonyl]-N-(cyanomethyl)-5,5,5-trifluoroleucinamide moderate inhibition Homo sapiens
N2-[(benzyloxy)carbonyl]-N-(cyanomethyl)-D-leucinamide weak inhibition Homo sapiens
N2-[(benzyloxy)carbonyl]-N-(cyanomethyl)-L-norleucinamide moderate inhibition Homo sapiens
RH00369
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
lysosome
-
 Homo sapiens 5764
-

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
additional information Homo sapiens cathepsin K is a lysosomal cysteine protease that is highly and selectively expressed in osteoclasts, the cells which degrade bone during the continuous cycle of bone degradation and formation ?
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
bone
-
 Homo sapiens
-
osteoclast
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information cathepsin K is a lysosomal cysteine protease that is highly and selectively expressed in osteoclasts, the cells which degrade bone during the continuous cycle of bone degradation and formation Homo sapiens ?
-
 ?

Synonyms

Synonyms Comment Organism
Cat K
-
 Homo sapiens