Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 6.3.2.10 extracted from

  • Khedkar, S.A.; Malde, A.K.; Coutinho, E.C.
    Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de Novo design (2007), J. Chem. Inf. Model., 47, 1839-1846.
    View publication on PubMed
Search for more literature for 6.3.2.10

Inhibitors

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

Organism UniProt Comment Textmining
Streptococcus pneumoniae Q8DNV6
-
-

Synonyms

Synonyms Comment Organism
MurF
-
 Streptococcus pneumoniae

IC50 Value

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