Inhibitors | Comment | Organism | Structure |
---|---|---|---|
ethyl (2E)-3-[(2S,5S,14S)-2-(4-fluorobenzyl)-9-methyl-14-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-3,8,15-trioxo-1,4,9-triazacyclopentadecan-5-yl]prop-2-enoate | - |
Rhinovirus B14 | |
ethyl (2E,4S)-4-([(2S)-2-[3-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-2-oxopyridin-1(2H)-yl]pent-4-ynoyl]amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | - |
Rhinovirus B14 | |
additional information | design and synthesis of macrocyclic inhibitors of human rhinovirus 3C protease, overview. Macrocyclization is a good way to improve the potency and ADME properties of peptidomimetics. Cyclization of peptidomimetic molecules can lead to increased potency by picking up additional interactions on the protein surface and reducing the entropic penalty inherent in binding a peptide-like structure to a protein | Rhinovirus B14 | |
N-[(2S,5S,14S)-2-(4-fluorobenzyl)-5-formyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(2S,5S,14S)-2-(4-fluorobenzyl)-5-formyl-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | crystal structure of 4 in complex with HRV2 3C protease (PDB ID 6FFS) | Rhinovirus B14 | |
N-[(2S,5S,14S)-5-[azetidin-1-yl(oxo)acetyl]-2-(4-fluorobenzyl)-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(3S,12S,16S,17aS)-3-formyl-7-methyl-1,6,13-trioxo-16-phenylhexadecahydro-1H-pyrrolo[1,2-a][1,4,9]triazacyclopentadecin-12-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(4S,7S,10S,17aR)-7-(4-fluorobenzyl)-10-formyl-1,5,8,13-tetraoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,8,11]tetraazacyclopentadecin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-leucyl-N-[(2S)-1-(acetylamino)-3-oxopropan-2-yl]-4-fluoro-L-phenylalaninamide | - |
Rhinovirus B14 | |
N-[(5S,8S,11S)-8-(4-fluorobenzyl)-11-formyl-2,6,9,14-tetraoxooctadecahydropyrrolo[2,1-k][1,4,8,12]tetraazacyclohexadecin-5-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(5S,8S,11S,13E,17S)-8-(4-fluorobenzyl)-5-formyl-2,7,10-trioxo-16-oxa-1,6,9-triazabicyclo[15.2.1]icos-13-en-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(5S,8S,11S,13Z,19S)-8-(4-fluorobenzyl)-5-formyl-2,7,10-trioxo-18-oxa-1,6,9-triazabicyclo[17.2.1]docos-13-en-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(5S,8S,11S,17S)-8-(4-fluorobenzyl)-5-formyl-2,7,10,16-tetraoxo-1,6,9,15-tetraazabicyclo[15.2.1]icos-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(6S,9S,12S)-9-(4-fluorobenzyl)-12-formyl-1-methyl-3,7,10,15-tetraoxo-1,4,8,11-tetraazacyclopentadecan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(7S,10S,13S)-10-(4-fluorobenzyl)-7-formyl-3-methyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
N-[(7S,10S,13S)-10-(4-fluorobenzyl)-7-formyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide | - |
Rhinovirus B14 | |
rupintrivir | - |
Rhinovirus B14 |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Rhinovirus B14 | - |
HRV-14 | - |
Synonyms | Comment | Organism |
---|---|---|
3C protease | - |
Rhinovirus B14 |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000002 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(5S,8S,11S)-8-(4-fluorobenzyl)-11-formyl-2,6,9,14-tetraoxooctadecahydropyrrolo[2,1-k][1,4,8,12]tetraazacyclohexadecin-5-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000002 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(5S,8S,11S,13E,17S)-8-(4-fluorobenzyl)-5-formyl-2,7,10-trioxo-16-oxa-1,6,9-triazabicyclo[15.2.1]icos-13-en-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000002 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(7S,10S,13S)-10-(4-fluorobenzyl)-7-formyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000003 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(5S,8S,11S,17S)-8-(4-fluorobenzyl)-5-formyl-2,7,10,16-tetraoxo-1,6,9,15-tetraazabicyclo[15.2.1]icos-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000006 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(6S,9S,12S)-9-(4-fluorobenzyl)-12-formyl-1-methyl-3,7,10,15-tetraoxo-1,4,8,11-tetraazacyclopentadecan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000007 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(2S,5S,14S)-2-(4-fluorobenzyl)-5-formyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000008 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(3S,12S,16S,17aS)-3-formyl-7-methyl-1,6,13-trioxo-16-phenylhexadecahydro-1H-pyrrolo[1,2-a][1,4,9]triazacyclopentadecin-12-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000018 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(2S,5S,14S)-2-(4-fluorobenzyl)-5-formyl-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000035 | - |
50 pH 7.4, temperature not specified | Rhinovirus B14 | N-[(4S,7S,10S,17aR)-7-(4-fluorobenzyl)-10-formyl-1,5,8,13-tetraoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,8,11]tetraazacyclopentadecin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.000063 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-leucyl-N-[(2S)-1-(acetylamino)-3-oxopropan-2-yl]-4-fluoro-L-phenylalaninamide | |
0.000753 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(7S,10S,13S)-10-(4-fluorobenzyl)-7-formyl-3-methyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.0032 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | ethyl (2E,4S)-4-([(2S)-2-[3-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-2-oxopyridin-1(2H)-yl]pent-4-ynoyl]amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | |
0.00384 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | N-[(2S,5S,14S)-5-[azetidin-1-yl(oxo)acetyl]-2-(4-fluorobenzyl)-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | |
0.00737 | - |
pH 7.4, temperature not specified | Rhinovirus B14 | ethyl (2E)-3-[(2S,5S,14S)-2-(4-fluorobenzyl)-9-methyl-14-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-3,8,15-trioxo-1,4,9-triazacyclopentadecan-5-yl]prop-2-enoate |