Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1,4-diaminoanthra-9,10-quinone | pIC50 predicted by comparative residue interaction analysis: 5.0, pIC50 predicted by comparative molecular field analysis:5.5 | Streptococcus pneumoniae | |
1-(azepan-1-ylmethyl)-2-naphthol | pIC50 predicted by comparative residue interaction analysis: 5.7, pIC50 predicted by comparative molecular field analysis: 5.9 | Streptococcus pneumoniae | |
1-(cyclohexylmethyl)piperazine | pIC50 predicted by comparative residue interaction analysis: 5.5, pIC50 predicted by comparative molecular field analysis: 6.2 | Streptococcus pneumoniae | |
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide | - |
Streptococcus pneumoniae | |
2,4-dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-methoxyethyl)(methyl)sulfamoyl]benzamide | - |
Streptococcus pneumoniae | |
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide | - |
Streptococcus pneumoniae | |
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-(4-methylphenyl)pyrrolo[2,1-a]isoquinoline | pIC50 predicted by comparative residue interaction analysis: 5.1, pIC50 predicted by comparative molecular field analysis: 5.6 | Streptococcus pneumoniae | |
2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxamide | - |
Streptococcus pneumoniae | |
2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-4-fluoro-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(methylamino)sulfonyl]benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[[(3-hydroxypropyl)amino]sulfonyl]benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-4-(methylamino)-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(diethylsulfamoyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae | |
2-chloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide | - |
Streptococcus pneumoniae | |
3-anilinocyclohex-2-en-1-one | pIC50 predicted by comparative residue interaction analysis: 5.2, pIC50 predicted by comparative molecular field analysis: 5.5 | Streptococcus pneumoniae | |
3-imino-3,4-dihydroisoquinolin-1(2H)-one | pIC50 predicted by comparative residue interaction analysis: 5.2, pIC50 predicted by comparative molecular field analysis: 5.6 | Streptococcus pneumoniae | |
4,6-dimethyl-1-[[(1E)-phenylmethylene]amino]pyridin-2(1H)-one | pIC50 predicted by comparative residue interaction analysis: 5.1, pIC50 predicted by comparative molecular field analysis: 4.6 | Streptococcus pneumoniae | |
4-(4-methylpiperazin-1-yl)aniline | pIC50 predicted by comparative residue interaction analysis: 5.7, pIC50 predicted by comparative molecular field analysis: 6.1 | Streptococcus pneumoniae | |
5-(anilinosulfonyl)-2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)benzamide | - |
Streptococcus pneumoniae | |
6-piperazin-1-yl-1H-benzo[de]isoquinoline-1,3(2H)-dione | pIC50 predicted by comparative residue interaction analysis: 5.4, pIC50 predicted by comparative molecular field analysis: 5.8 | Streptococcus pneumoniae | |
ethyl 2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate | - |
Streptococcus pneumoniae | |
additional information | design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de dovo design | Streptococcus pneumoniae | |
N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-2-[[3-(dimethylamino)propyl]amino]-5-(morpholin-4-ylsulfonyl)benzamide | - |
Streptococcus pneumoniae |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Streptococcus pneumoniae | Q8DNV6 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
MurF | - |
Streptococcus pneumoniae |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000000022 | - |
- |
Streptococcus pneumoniae | 2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide | |
0.000000054 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide | |
0.000000068 | - |
- |
Streptococcus pneumoniae | 2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide | |
0.000000071 | - |
- |
Streptococcus pneumoniae | 2,4-dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-methoxyethyl)(methyl)sulfamoyl]benzamide | |
0.000000302 | - |
- |
Streptococcus pneumoniae | 2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.000001 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.00000141 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(diethylsulfamoyl)benzamide | |
0.0000017 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.000003388 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide | |
0.000004169 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.00000417 | - |
- |
Streptococcus pneumoniae | 2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.0000052 | - |
- |
Streptococcus pneumoniae | 2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide | |
0.00000603 | - |
- |
Streptococcus pneumoniae | ethyl 2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate | |
0.0000065 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-4-fluoro-5-(morpholin-4-ylsulfonyl)benzamide | |
0.0000079 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide | |
0.0000079 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[[(3-hydroxypropyl)amino]sulfonyl]benzamide | |
0.0000089 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.0000151 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(methylamino)sulfonyl]benzamide | |
0.0000257 | - |
- |
Streptococcus pneumoniae | 5-(anilinosulfonyl)-2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)benzamide | |
0.0000617 | - |
- |
Streptococcus pneumoniae | 2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-4-(methylamino)-5-(morpholin-4-ylsulfonyl)benzamide | |
0.000066 | - |
- |
Streptococcus pneumoniae | 2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxamide | |
0.000074 | - |
- |
Streptococcus pneumoniae | N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-2-[[3-(dimethylamino)propyl]amino]-5-(morpholin-4-ylsulfonyl)benzamide |