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Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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TBA

Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50135598
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50135599
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386963
PNG
(CHEMBL2048828)
Show SMILES C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)CN)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C40H48N10O13/c1-19(44-39(61)46-27(38(59)60)15-22-17-42-25-10-5-4-9-24(22)25)34(56)48-31(20(2)49(3)36(58)26(45-30(53)16-41)14-21-7-6-8-23(51)13-21)35(57)43-18-28-32(54)33(55)37(63-28)50-12-11-29(52)47-40(50)62/h4-13,17-20,26-27,31-33,37,42,51,54-55H,14-16,41H2,1-3H3,(H,43,57)(H,45,53)(H,48,56)(H,59,60)(H2,44,46,61)(H,47,52,62)/b28-18-/t19-,20-,26-,27-,31-,32+,33+,37+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386961
PNG
(CHEMBL2048825)
Show SMILES C[C@H](N)C(=O)N(C)[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N\C=C1\C[C@@H](O)[C@@H](O1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H41N9O10/c1-15(33)28(46)40(4)17(3)25(27(45)35-14-19-12-23(42)29(51-19)41-10-9-24(43)38-32(41)50)39-26(44)16(2)36-31(49)37-22(30(47)48)11-18-13-34-21-8-6-5-7-20(18)21/h5-10,13-17,22-23,25,29,34,42H,11-12,33H2,1-4H3,(H,35,45)(H,39,44)(H,47,48)(H2,36,37,49)(H,38,43,50)/b19-14-/t15-,16-,17-,22-,23+,25-,29+/m0/s1
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Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386960
PNG
(CHEMBL2048826)
Show SMILES C[C@H](N)C(=O)N(C)[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H41N9O11/c1-14(33)28(47)40(4)16(3)23(27(46)35-13-21-24(43)25(44)29(52-21)41-10-9-22(42)38-32(41)51)39-26(45)15(2)36-31(50)37-20(30(48)49)11-17-12-34-19-8-6-5-7-18(17)19/h5-10,12-16,20,23-25,29,34,43-44H,11,33H2,1-4H3,(H,35,46)(H,39,45)(H,48,49)(H2,36,37,50)(H,38,42,51)/b21-13-/t14-,15-,16-,20-,23-,24+,25+,29+/m0/s1
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Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386965
PNG
(CHEMBL2048830)
Show SMILES C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)CN)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C31H39N9O11/c1-14(35-30(49)36-19(29(47)48)10-16-12-33-18-7-5-4-6-17(16)18)26(45)38-23(15(2)39(3)22(42)11-32)27(46)34-13-20-24(43)25(44)28(51-20)40-9-8-21(41)37-31(40)50/h4-9,12-15,19,23-25,28,33,43-44H,10-11,32H2,1-3H3,(H,34,46)(H,38,45)(H,47,48)(H2,35,36,49)(H,37,41,50)/b20-13-/t14-,15-,19-,23-,24+,25+,28+/m0/s1
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Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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TBA

Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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TBA

Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386966
PNG
(CHEMBL2048831)
Show SMILES C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@H]([C@H](C)N(C)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)CN)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C40H48N10O13/c1-19(44-39(61)46-27(38(59)60)15-22-17-42-25-10-5-4-9-24(22)25)34(56)48-31(20(2)49(3)36(58)26(45-30(53)16-41)14-21-7-6-8-23(51)13-21)35(57)43-18-28-32(54)33(55)37(63-28)50-12-11-29(52)47-40(50)62/h4-13,17-20,26-27,31-33,37,42,51,54-55H,14-16,41H2,1-3H3,(H,43,57)(H,45,53)(H,48,56)(H,59,60)(H2,44,46,61)(H,47,52,62)/b28-18-/t19-,20-,26-,27-,31+,32+,33+,37+/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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TBA

Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386962
PNG
(CHEMBL2048827)
Show SMILES C[C@H](N)C(=O)N(C)[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H41N9O11/c1-14(33)28(47)40(4)16(3)23(27(46)35-13-21-24(43)25(44)29(52-21)41-10-9-22(42)38-32(41)51)39-26(45)15(2)36-31(50)37-20(30(48)49)11-17-12-34-19-8-6-5-7-18(17)19/h5-10,12-16,20,23-25,29,34,43-44H,11,33H2,1-4H3,(H,35,46)(H,39,45)(H,48,49)(H2,36,37,50)(H,38,42,51)/b21-13-/t14-,15-,16-,20-,23+,24+,25+,29+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386964
PNG
(CHEMBL2048829)
Show SMILES C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@@H]([C@H](C)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C40H48N10O13/c1-19(44-39(61)46-27(38(59)60)15-22-17-42-25-7-5-4-6-24(22)25)34(56)48-31(20(2)49(3)36(58)26(45-30(53)16-41)14-21-8-10-23(51)11-9-21)35(57)43-18-28-32(54)33(55)37(63-28)50-13-12-29(52)47-40(50)62/h4-13,17-20,26-27,31-33,37,42,51,54-55H,14-16,41H2,1-3H3,(H,43,57)(H,45,53)(H,48,56)(H,59,60)(H2,44,46,61)(H,47,52,62)/b28-18-/t19-,20-,26-,27-,31-,32+,33+,37+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097061
PNG
(1-{5-[1-(5-Aminomethyl-3,4-dihydroxy-tetrahydro-fu...)
Show SMILES NC[C@H]1O[C@@H](OC(CO)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N3O10/c16-3-5-8(21)11(24)14(26-5)27-6(4-19)12-9(22)10(23)13(28-12)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,17,20,25)/t5-,6?,8-,9+,10-,11-,12-,13-,14+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343932
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C28H48N4O11/c1-2-3-4-5-6-7-8-9-10-11-13-30-18(26(38)39)23(43-27-22(37)19(34)16(15-29)41-27)24-20(35)21(36)25(42-24)32-14-12-17(33)31-28(32)40/h12,14,16,18-25,27,30,34-37H,2-11,13,15,29H2,1H3,(H,38,39)(H,31,33,40)/t16-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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TBA

Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50386967
PNG
(CHEMBL2048832)
Show SMILES C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)N[C@H]([C@H](C)N(C)C(=O)[C@@H](Cc1cccc(O)c1)NC(=O)CN)C(=O)N\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C40H48N10O13/c1-19(44-39(61)46-27(38(59)60)15-22-17-42-25-10-5-4-9-24(22)25)34(56)48-31(20(2)49(3)36(58)26(45-30(53)16-41)14-21-7-6-8-23(51)13-21)35(57)43-18-28-32(54)33(55)37(63-28)50-12-11-29(52)47-40(50)62/h4-13,17-20,26-27,31-33,37,42,51,54-55H,14-16,41H2,1-3H3,(H,43,57)(H,45,53)(H,48,56)(H,59,60)(H2,44,46,61)(H,47,52,62)/b28-18-/t19-,20-,26+,27-,31+,32+,33+,37+/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to...


Bioorg Med Chem Lett 22: 4810-5 (2012)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318258
PNG
(6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)...)
Show SMILES CCCCCCCCCCCCNC(=O)[C@@H](N)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H49N5O10/c1-2-3-4-5-6-7-8-9-10-11-13-31-25(39)18(30)23(43-27-22(38)19(35)16(15-29)41-27)24-20(36)21(37)26(42-24)33-14-12-17(34)32-28(33)40/h12,14,16,18-24,26-27,35-38H,2-11,13,15,29-30H2,1H3,(H,31,39)(H,32,34,40)/t16-,18+,19-,20+,21-,22-,23+,24+,26-,27+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097058
PNG
(1-[5-[5-amino(imino)methylaminomethyl-3,4-dihydrox...)
Show SMILES NC(N)=NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N5O9/c16-14(17)18-3-5-8(22)11(25)13(29-5)27-4-6-9(23)10(24)12(28-6)20-2-1-7(21)19-15(20)26/h1-2,5-6,8-13,22-25H,3-4H2,(H4,16,17,18)(H,19,21,26)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097053
PNG
(1-[5-[3,4-dihydroxy-5-iminomethylaminomethyl-(2R,3...)
Show SMILES O[C@@H]1[C@@H](CNC=N)O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O
Show InChI InChI=1S/C15H22N4O9/c16-5-17-3-6-9(21)12(24)14(28-6)26-4-7-10(22)11(23)13(27-7)19-2-1-8(20)18-15(19)25/h1-2,5-7,9-14,21-24H,3-4H2,(H2,16,17)(H,18,20,25)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50058291
PNG
(CHEBI:87193 | CHEMBL1205178)
Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12
Show InChI InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of recombinant MraY overexpressed in Escherichia coli membranes by continuous fluorescence assay


Bioorg Med Chem 22: 4566-71 (2014)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318262
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCCNC(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C29H49N5O12/c1-2-3-4-5-6-7-8-9-10-11-13-31-28(42)33-18(26(40)41)23(46-27-22(39)19(36)16(15-30)44-27)24-20(37)21(38)25(45-24)34-14-12-17(35)32-29(34)43/h12,14,16,18-25,27,36-39H,2-11,13,15,30H2,1H3,(H,40,41)(H2,31,33,42)(H,32,35,43)/t16-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097055
PNG
(1-[5-[3,4-dihydroxy-5-methylaminomethyl-(2R,3R,4R,...)
Show SMILES CNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N3O9/c1-16-4-6-9(20)12(23)14(27-6)25-5-7-10(21)11(22)13(26-7)18-3-2-8(19)17-15(18)24/h2-3,6-7,9-14,16,20-23H,4-5H2,1H3,(H,17,19,24)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318259
PNG
(6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C30H45N5O10/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)33-27(41)20(32)25(45-29-24(40)21(37)18(15-31)43-29)26-22(38)23(39)28(44-26)35-14-13-19(36)34-30(35)42/h9-14,18,20-26,28-29,37-40H,2-8,15,31-32H2,1H3,(H,33,41)(H,34,36,42)/t18-,20+,21-,22+,23-,24-,25+,26+,28-,29+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50091506
PNG
(1-[(2R,3R,4S,5R)-5-((2R,3R,4S,5R)-5-Aminomethyl-3,...)
Show SMILES NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C14H21N3O9/c15-3-5-8(19)11(22)13(26-5)24-4-6-9(20)10(21)12(25-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,16,18,23)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318260
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C28H46N4O12/c1-2-3-4-5-6-7-8-9-10-11-16(33)30-18(26(39)40)23(44-27-22(38)19(35)15(14-29)42-27)24-20(36)21(37)25(43-24)32-13-12-17(34)31-28(32)41/h12-13,15,18-25,27,35-38H,2-11,14,29H2,1H3,(H,30,33)(H,39,40)(H,31,34,41)/t15-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318263
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCc1ccc(NC(=O)N[C@@H]([C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)C(O)=O)cc1
Show InChI InChI=1S/C31H45N5O12/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)33-30(44)35-20(28(42)43)25(48-29-24(41)21(38)18(15-32)46-29)26-22(39)23(40)27(47-26)36-14-13-19(37)34-31(36)45/h9-14,18,20-27,29,38-41H,2-8,15,32H2,1H3,(H,42,43)(H2,33,35,44)(H,34,37,45)/t18-,20+,21-,22+,23-,24-,25+,26-,27-,29+/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102059
PNG
((3R,4R)-3-[2-(5-Bromo-2-chloro-phenyl)-ethyl]-4-fl...)
Show SMILES F[C@@H]1CCNC[C@H]1CCc1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H16BrClFN/c14-11-3-4-12(15)9(7-11)1-2-10-8-17-6-5-13(10)16/h3-4,7,10,13,17H,1-2,5-6,8H2/t10-,13-/m1/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342781
PNG
((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C53H83N5O10Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-31-47(60)67-45-37-58(34-26-19-25-33-57-35-32-46(59)56-52(57)64)43(39-65-51-49(62)48(61)44(36-54)68-51)50(63)55-42(45)38-66-69(53(2,3)4,40-27-20-17-21-28-40)41-29-22-18-23-30-41/h17-18,20-23,27-30,32,35,42-45,48-49,51,61-62H,5-16,19,24-26,31,33-34,36-39,54H2,1-4H3,(H,55,63)(H,56,59,64)/t42-,43+,44-,45+,48-,49-,51-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097060
PNG
(1-[5-[5-hexylaminomethyl-3,4-dihydroxy-(2R,3R,4R,5...)
Show SMILES CCCCCCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H33N3O9/c1-2-3-4-5-7-21-9-11-14(25)17(28)19(32-11)30-10-12-15(26)16(27)18(31-12)23-8-6-13(24)22-20(23)29/h6,8,11-12,14-19,21,25-28H,2-5,7,9-10H2,1H3,(H,22,24,29)/t11-,12-,14-,15-,16-,17-,18-,19-/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097063
PNG
(1-[5-[3,4-dihydroxy-5-propylaminomethyl-(2R,3R,4R,...)
Show SMILES CCCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N3O9/c1-2-4-18-6-8-11(22)14(25)16(29-8)27-7-9-12(23)13(24)15(28-9)20-5-3-10(21)19-17(20)26/h3,5,8-9,11-16,18,22-25H,2,4,6-7H2,1H3,(H,19,21,26)/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102064
PNG
(3-[2-(5-Bromo-2-chloro-phenyl)-vinyl]-piperidine; ...)
Show SMILES Clc1ccc(Br)cc1\C=C\C1CCCNC1
Show InChI InChI=1S/C13H15BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h3-6,8,10,16H,1-2,7,9H2/b4-3+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097052
PNG
(1-[5-[5-ethylaminomethyl-3,4-dihydroxy-(2R,3R,4R,5...)
Show SMILES CCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H25N3O9/c1-2-17-5-7-10(21)13(24)15(28-7)26-6-8-11(22)12(23)14(27-8)19-4-3-9(20)18-16(19)25/h3-4,7-8,10-15,17,21-24H,2,5-6H2,1H3,(H,18,20,25)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097057
PNG
(1-[5-[3,4-dihydroxy-5-isopropylaminomethyl-(2R,3R,...)
Show SMILES CC(C)NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N3O9/c1-7(2)18-5-8-11(22)14(25)16(29-8)27-6-9-12(23)13(24)15(28-9)20-4-3-10(21)19-17(20)26/h3-4,7-9,11-16,18,22-25H,5-6H2,1-2H3,(H,19,21,26)/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102057
PNG
(3-[2-(5-Bromo-2-chloro-phenyl)-ethyl]-piperidine; ...)
Show SMILES Clc1ccc(Br)cc1CCC1CCCNC1
Show InChI InChI=1S/C13H17BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
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n/an/a 1.85E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342779
PNG
((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN=[N+]=[N-])[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C58H89N7O10Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-28-35-51(67)72-49-41-65(38-30-23-29-37-64-39-36-50(66)62-56(64)69)47(43-70-55-53-52(48(73-55)40-60-63-59)74-58(8-2,9-3)75-53)54(68)61-46(49)42-71-76(57(4,5)6,44-31-24-21-25-32-44)45-33-26-22-27-34-45/h21-22,24-27,31-34,36,39,46-49,52-53,55H,7-20,23,28-30,35,37-38,40-43H2,1-6H3,(H,61,68)(H,62,66,69)/t46-,47+,48-,49+,52-,53-,55-/m1/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102061
PNG
(3-[2-(2,5-Dichloro-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Clc1ccc(Cl)c(CCC2CCCNC2)c1
Show InChI InChI=1S/C13H17Cl2N/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
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n/an/a 1.95E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102051
PNG
(3-[2-(3,4-Dichloro-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Clc1ccc(CCC2CCCNC2)cc1Cl
Show InChI InChI=1S/C13H17Cl2N/c14-12-6-5-10(8-13(12)15)3-4-11-2-1-7-16-9-11/h5-6,8,11,16H,1-4,7,9H2
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n/an/a 2.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342782
PNG
((3S,6S,7R)-3-(5-Amino-5-deoxy-beta-D-ribos-1-yl-me...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO
Show InChI InChI=1S/C37H65N5O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-32(45)51-30-24-42(21-17-14-16-20-41-22-19-31(44)40-37(41)49)28(35(48)39-27(30)25-43)26-50-36-34(47)33(46)29(23-38)52-36/h19,22,27-30,33-34,36,43,46-47H,2-18,20-21,23-26,38H2,1H3,(H,39,48)(H,40,44,49)/t27-,28+,29-,30+,33-,34-,36-/m1/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318261
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C31H44N4O12/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)27(41)34-20(29(42)43)25(47-30-24(40)21(37)18(15-32)45-30)26-22(38)23(39)28(46-26)35-14-13-19(36)33-31(35)44/h9-14,18,20-26,28,30,37-40H,2-8,15,32H2,1H3,(H,34,41)(H,42,43)(H,33,36,44)/t18-,20+,21-,22+,23-,24-,25+,26+,28-,30+/m1/s1
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n/an/a 2.56E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342778
PNG
((3S,6S,7R)-3,7-Dihydroxymethyl-6-palmitoyloxy-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO
Show InChI InChI=1S/C32H56N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-30(40)43-28-23-36(27(25-38)31(41)33-26(28)24-37)21-17-14-16-20-35-22-19-29(39)34-32(35)42/h19,22,26-28,37-38H,2-18,20-21,23-25H2,1H3,(H,33,41)(H,34,39,42)/t26-,27+,28+/m1/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102060
PNG
(3-[2-(2,6-Dichloro-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Clc1cccc(Cl)c1CCC1CCCNC1
Show InChI InChI=1S/C13H17Cl2N/c14-12-4-1-5-13(15)11(12)7-6-10-3-2-8-16-9-10/h1,4-5,10,16H,2-3,6-9H2
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n/an/a 2.90E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102056
PNG
(3-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-piper...)
Show SMILES FC(F)(F)c1cc(CCC2CCCNC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H17F6N/c16-14(17,18)12-6-11(7-13(8-12)15(19,20)21)4-3-10-2-1-5-22-9-10/h6-8,10,22H,1-5,9H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342784
PNG
((3S,6S,7R)-3,7-Di-(5-amino-5-deoxy-2,3-O-isopentyl...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN)[C@H]2OC(CC)(CC)O[C@@H]12
Show InChI InChI=1S/C52H90N6O13/c1-6-11-12-13-14-15-16-17-18-19-20-21-23-26-42(60)65-40-33-58(29-25-22-24-28-57-30-27-41(59)56-50(57)62)37(35-64-49-46-44(39(32-54)67-49)69-52(9-4,10-5)71-46)47(61)55-36(40)34-63-48-45-43(38(31-53)66-48)68-51(7-2,8-3)70-45/h27,30,36-40,43-46,48-49H,6-26,28-29,31-35,53-54H2,1-5H3,(H,55,61)(H,56,59,62)/t36-,37+,38-,39-,40+,43-,44-,45-,46-,48-,49-/m1/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318254
PNG
((2R,4S,5S)-2-Aminopropyl-5-[(1R,2R,3R,4R)-2,3-dihy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O
Show InChI InChI=1S/C31H52N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(37)35-23(17-15-19-32)43-27(24(35)30(40)41)28-25(38)26(39)29(44-28)34-20-18-21(36)33-31(34)42/h18,20,23-29,38-39H,2-17,19,32H2,1H3,(H,40,41)(H,33,36,42)/t23-,24+,25+,26-,27+,28+,29-/m1/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342790
PNG
((3S,6S,7R)-7-(tert-Butyldiphenylsilyloxymethyl)-3-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C48H74N4O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-31-45(55)59-43-36-52(34-26-19-25-33-51-35-32-44(54)50-47(51)57)42(37-53)46(56)49-41(43)38-58-60(48(2,3)4,39-27-20-17-21-28-39)40-29-22-18-23-30-40/h17-18,20-23,27-30,32,35,41-43,53H,5-16,19,24-26,31,33-34,36-38H2,1-4H3,(H,49,56)(H,50,54,57)/t41-,42+,43+/m1/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102067
PNG
((3S,4S)-3-[3-(5-Bromo-2-chloro-phenyl)-propyl]-4-f...)
Show SMILES F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl
Show InChI InChI=1S/C14H18BrClFN/c15-12-4-5-13(16)10(8-12)2-1-3-11-9-18-7-6-14(11)17/h4-5,8,11,14,18H,1-3,6-7,9H2/t11-,14-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
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