Found 95 hits Enz. Inhib. hit(s) with all data for entry = 6234 Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119091
(Feglymicin (compound 30))Show SMILES CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)c1cc(O)cc(O)c1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)/t69-,70-,72+,73-,74-,75-,76-,77-,78+,79+,80+,81+,82+/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2
(Staphylococcus aureus (Firmicutes)) | BDBM119091
(Feglymicin (compound 30))Show SMILES CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)c1cc(O)cc(O)c1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)/t69-,70-,72+,73-,74-,75-,76-,77-,78+,79+,80+,81+,82+/m0/s1 | KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Enterobacter cloacae (Enterobacteria)) | BDBM119069
(T6361 (compound 4))Show SMILES CN([C@@H](CCCC(O)=O)C(O)=O)C(=O)C1CC(CCC1NS(=O)(=O)c1cccc2ccccc12)OS(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C34H36N2O10S2/c1-36(29(34(40)41)15-8-18-32(37)38)33(39)27-21-24(46-48(44,45)31-17-7-12-23-10-3-5-14-26(23)31)19-20-28(27)35-47(42,43)30-16-6-11-22-9-2-4-13-25(22)30/h2-7,9-14,16-17,24,27-29,35H,8,15,18-21H2,1H3,(H,37,38)(H,40,41)/t24?,27?,28?,29-/m0/s1 | PDB
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UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119097
(MurD inhibitor (compound 36))Show SMILES C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](C)P(O)(=O)CC(CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H45N4O24P3/c1-11(24(41)30-13(3)57(45,46)10-14(26(42)43)4-5-18(36)37)52-23-19(29-12(2)34)27(54-15(8-33)21(23)39)55-59(49,50)56-58(47,48)51-9-16-20(38)22(40)25(53-16)32-7-6-17(35)31-28(32)44/h6-7,11,13-16,19-23,25,27,33,38-40H,4-5,8-10H2,1-3H3,(H,29,34)(H,30,41)(H,36,37)(H,42,43)(H,45,46)(H,47,48)(H,49,50)(H,31,35,44)/t11-,13+,14?,15-,16?,19-,20?,21-,22?,23-,25?,27?/m1/s1 | PDB
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GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Escherichia coli) | BDBM119114
(MurF inhibitor (compound 56))Show SMILES Oc1ccc(cc1)[C@@H]1CCC2C(C1)SC(NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)=C2C#N |r,c:38| Show InChI InChI=1S/C26H25Cl2N3O5S2/c27-21-13-22(28)24(38(34,35)31-7-9-36-10-8-31)12-19(21)25(33)30-26-20(14-29)18-6-3-16(11-23(18)37-26)15-1-4-17(32)5-2-15/h1-2,4-5,12-13,16,18,23,32H,3,6-11H2,(H,30,33)/t16-,18?,23?/m1/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramate--L-alanine ligase
(Escherichia coli) | BDBM119081
(MurC inhibitor (compound 20))Show SMILES CC(CP(O)(=O)CO[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C22H36N3O21P3/c1-9(20(32)33)7-47(35,36)8-41-18-14(23-10(2)27)21(44-11(5-26)16(18)30)45-49(39,40)46-48(37,38)42-6-12-15(29)17(31)19(43-12)25-4-3-13(28)24-22(25)34/h3-4,9,11-12,14-19,21,26,29-31H,5-8H2,1-2H3,(H,23,27)(H,32,33)(H,35,36)(H,37,38)(H,39,40)(H,24,28,34)/t9?,11-,12-,14-,15-,16-,17-,18-,19-,21?/m1/s1 | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Haemophilus influenzae (G-proteobacteria)) | BDBM34233
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H | PDB
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119067
(RWJ-3981 (compound 2))Show InChI InChI=1S/C9H5ClOS2/c10-8-7(9(11)13-12-8)6-4-2-1-3-5-6/h1-5H | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119073
(MurA inhibitor (compound 9))Show InChI InChI=1S/C7H2Cl2O3S/c8-2-1-3(10)4(9)6-5(2)12-7(11)13-6/h1,10H | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Streptococcus pneumoniae (Firmicutes)) | BDBM119115
(MurF inhibitor (compound 57))Show SMILES Oc1cccc(CN2CCC3C(C2)SC(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)=C3C#N)c1 |c:37| Show InChI InChI=1S/C26H26Cl2N4O5S2/c27-21-12-22(28)24(39(35,36)32-6-8-37-9-7-32)11-19(21)25(34)30-26-20(13-29)18-4-5-31(15-23(18)38-26)14-16-2-1-3-17(33)10-16/h1-3,10-12,18,23,33H,4-9,14-15H2,(H,30,34) | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Escherichia coli) | BDBM119113
(MurF inhibitor (compound 55))Show SMILES Clc1cc(Cl)c(cc1C(=O)NC1=C(C#N)C2CCCC2S1)S(=O)(=O)N1CCOCC1 |c:12| Show InChI InChI=1S/C19H19Cl2N3O4S2/c20-14-9-15(21)17(30(26,27)24-4-6-28-7-5-24)8-12(14)18(25)23-19-13(10-22)11-2-1-3-16(11)29-19/h8-9,11,16H,1-7H2,(H,23,25) | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2
(Staphylococcus aureus (Firmicutes)) | BDBM119073
(MurA inhibitor (compound 9))Show InChI InChI=1S/C7H2Cl2O3S/c8-2-1-3(10)4(9)6-5(2)12-7(11)13-6/h1,10H | KEGG
UniProtKB/SwissProt
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AffyNet
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase
(Staphylococcus aureus) | BDBM119108
(MurE inhibitor (compound 50))Show SMILES C[C@H](NC(=O)CCCCCOP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)n1ccc(=O)[nH]c1=O)C(=O)NC(CCP([O-])(=O)CC(CCCC([NH3+])C([O-])=O)C([O-])=O)C([O-])=O |r| Show InChI InChI=1S/C30H50N5O22P3/c1-16(25(40)33-19(29(45)46)10-13-58(48,49)15-17(27(41)42)6-5-7-18(31)28(43)44)32-21(36)8-3-2-4-12-54-59(50,51)57-60(52,53)55-14-20-23(38)24(39)26(56-20)35-11-9-22(37)34-30(35)47/h9,11,16-20,23-24,26,38-39H,2-8,10,12-15,31H2,1H3,(H,32,36)(H,33,40)(H,41,42)(H,43,44)(H,45,46)(H,48,49)(H,50,51)(H,52,53)(H,34,37,47)/p-5/t16-,17?,18?,19?,20?,23?,24?,26?/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119071
((±)-Tulipaline B (compound 6))Show InChI InChI=1S/C5H6O3/c1-3-4(6)2-8-5(3)7/h4,6H,1-2H2 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Escherichia coli) | BDBM119123
(MurD/E/F inhibitor (compound 69))Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(15)11-10(16)17-6/h1-3,12-14H,(H,11,15,16) | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119123
(MurD/E/F inhibitor (compound 69))Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(15)11-10(16)17-6/h1-3,12-14H,(H,11,15,16) | PDB
MMDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramate--L-alanine ligase
(Escherichia coli) | BDBM119083
(MurC inhibitor (compound 22))Show SMILES Cc1ccc(s1)C(=O)NS(=O)(=O)c1ccc(cc1)-c1cc2cc(ccc2o1)-c1ccccc1 Show InChI InChI=1S/C26H19NO4S2/c1-17-7-14-25(32-17)26(28)27-33(29,30)22-11-8-19(9-12-22)24-16-21-15-20(10-13-23(21)31-24)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28) | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Escherichia coli) | BDBM119119
(MurF inhibitor (compound 61))Show SMILES NC(=N)c1ccc(NC(=O)c2cnc(Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C23H15F6N7OS/c24-22(25,26)13-3-1-2-12(8-13)16-10-38-21(34-16)36-20-32-9-15(17(35-20)23(27,28)29)19(37)33-14-6-4-11(5-7-14)18(30)31/h1-10H,(H3,30,31)(H,33,37)(H,32,34,35,36) | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Haemophilus influenzae (G-proteobacteria)) | BDBM119074
(MurA inhibitor (compound 11))Show SMILES Oc1ccc(OC2=C(Cl)C(=O)c3ncccc3C2=O)cc1 |c:6| Show InChI InChI=1S/C15H8ClNO4/c16-11-14(20)12-10(2-1-7-17-12)13(19)15(11)21-9-5-3-8(18)4-6-9/h1-7,18H | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50428795
(CHEMBL2335230 | MurA inhibitor (compound 7))Show InChI InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3+ | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Staphylococcus aureus (Firmicutes)) | BDBM119080
(MurB inhibitor (compound 19))Show SMILES [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C10H6Cl2N4O3S/c11-6-2-1-5(3-7(6)12)14-9(17)15-10-13-4-8(20-10)16(18)19/h1-4H,(H2,13,14,15,17) | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119104
(MurD inhibitor (compound 46))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(CN(C(=O)CC(O)=O)c2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:26.25,c:30| Show InChI InChI=1S/C26H23N3O9S2/c30-20(12-22(33)34)29(17-6-4-14(5-7-17)11-19-24(36)28-26(39)40-19)13-15-2-1-3-16(10-15)23(35)27-18(25(37)38)8-9-21(31)32/h1-7,10-11,18H,8-9,12-13H2,(H,27,35)(H,31,32)(H,33,34)(H,37,38)(H,28,36,39)/t18-/m1/s1 | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119080
(MurB inhibitor (compound 19))Show SMILES [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C10H6Cl2N4O3S/c11-6-2-1-5(3-7(6)12)14-9(17)15-10-13-4-8(20-10)16(18)19/h1-4H,(H2,13,14,15,17) | PDB
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University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2
(Staphylococcus aureus (Firmicutes)) | BDBM50428795
(CHEMBL2335230 | MurA inhibitor (compound 7))Show InChI InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3+ | KEGG
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| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119079
(MurB inhibitor (compound 18))Show SMILES CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl4N3O3/c1-24(13-21(32)29-20-11-6-16(27)12-19(20)28)22(33)30(17-7-2-14(25)3-8-17)31(23(24)34)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3,(H,29,32) | PDB
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| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Staphylococcus aureus (Firmicutes)) | BDBM119079
(MurB inhibitor (compound 18))Show SMILES CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl4N3O3/c1-24(13-21(32)29-20-11-6-16(27)12-19(20)28)22(33)30(17-7-2-14(25)3-8-17)31(23(24)34)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3,(H,29,32) | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119080
(MurB inhibitor (compound 19))Show SMILES [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C10H6Cl2N4O3S/c11-6-2-1-5(3-7(6)12)14-9(17)15-10-13-4-8(20-10)16(18)19/h1-4H,(H2,13,14,15,17) | PDB
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| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Staphylococcus aureus (Firmicutes)) | BDBM50166485
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...)Show SMILES Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2 | PDB
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| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50166485
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...)Show SMILES Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2 | PDB
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| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119068
(Cpd1 (compound 3))Show InChI InChI=1S/C21H25NO2/c1-4-17-24-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)15-16-22(2)3/h4-14H,1,15-17H2,2-3H3 | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase
(Staphylococcus aureus) | BDBM119123
(MurD/E/F inhibitor (compound 69))Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(15)11-10(16)17-6/h1-3,12-14H,(H,11,15,16) | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Staphylococcus aureus (Firmicutes)) | BDBM119107
(MurD/E inhibitor (compound 49))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(NCc2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:20.19,c:24| Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119077
(MurB inhibitor (compound 14))Show SMILES CCCC[C@@H](C(O)=O)n1c(cn(Cc2ccccc2)c1=O)-c1cccc(Oc2ccc(cc2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C32H36N2O4/c1-5-6-15-28(30(35)36)34-29(22-33(31(34)37)21-23-11-8-7-9-12-23)24-13-10-14-27(20-24)38-26-18-16-25(17-19-26)32(2,3)4/h7-14,16-20,22,28H,5-6,15,21H2,1-4H3,(H,35,36)/t28-/m0/s1 | PDB
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| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119076
(MurB inhibitor (compound 13))Show SMILES CCCC[C@H](N1C(SCC1=O)c1cccc(Oc2ccc(cc2)C(C)(C)C)c1)C(O)=O |r| Show InChI InChI=1S/C25H31NO4S/c1-5-6-10-21(24(28)29)26-22(27)16-31-23(26)17-8-7-9-20(15-17)30-19-13-11-18(12-14-19)25(2,3)4/h7-9,11-15,21,23H,5-6,10,16H2,1-4H3,(H,28,29)/t21-,23?/m0/s1 | PDB
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| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Escherichia coli) | BDBM119112
(MurF inhibitor (compound 54))Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC1=C(C#N)C2CCCC2S1 |c:19| Show InChI InChI=1S/C19H22ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10,13,17H,3-7H2,1-2H3,(H,22,24) | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119107
(MurD/E inhibitor (compound 49))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(NCc2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:20.19,c:24| Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1 | PDB
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| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119100
(MurD inhibitor (compound 42))Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc3cc(OCc4ccc(cc4F)C#N)ccc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H17FN2O7S/c27-23-9-15(13-28)1-2-19(23)14-36-20-6-3-17-11-21(7-4-16(17)10-20)37(34,35)29-24-8-5-18(25(30)31)12-22(24)26(32)33/h1-12,29H,14H2,(H,30,31)(H,32,33) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119072
(MurA inhibitor (compound 8))Show InChI InChI=1S/C15H20N2O/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15(14)18/h2-5,14H,6-11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50024894
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 | PDB
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119105
(MurD inhibitor (compound 47))Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1)C(O)=O |r,w:13.12,c:17| Show InChI InChI=1S/C16H14N2O6S2/c19-12(20)6-5-10(15(22)23)17-13(21)9-3-1-8(2-4-9)7-11-14(25)18-16(24)26-11/h1-4,7,10H,5-6H2,(H,17,21)(H,19,20)(H,22,23)(H,18,24,25)/t10-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM119070
(Cnicin (compound 5))Show SMILES OC[C@@H](O)C(=C)C(=O)OC1C\C=C\CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12 |r,t:11,17| Show InChI InChI=1S/C19H24O7/c1-11(14(22)10-21)18(23)25-15-7-5-3-4-6-13(9-20)8-16-17(15)12(2)19(24)26-16/h3,5,8,14-17,20-22H,1-2,4,6-7,9-10H2/b5-3+,13-8-/t14-,15?,16-,17-/m1/s1 | PDB
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| PC cid
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UniChem
Similars
| Article
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| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2
(Staphylococcus aureus (Firmicutes)) | BDBM119072
(MurA inhibitor (compound 8))Show InChI InChI=1S/C15H20N2O/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15(14)18/h2-5,14H,6-11H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Staphylococcus aureus (Firmicutes)) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramate--L-alanine ligase
(Escherichia coli) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylenolpyruvoylglucosamine reductase
(Staphylococcus aureus (Firmicutes)) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase
(Staphylococcus aureus) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Enterobacter cloacae (Enterobacteria)) | BDBM119075
(Terreic acid (12))Show InChI InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h8-10H,1H3 | PDB
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| PC cid
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Similars
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
(Escherichia coli) | BDBM119120
(MurF inhibitor (compound 62))Show SMILES COc1ccc(cc1OC)C(NC(=O)c1ccccc1)c1ccc2cccnc2c1O Show InChI InChI=1S/C25H22N2O4/c1-30-20-13-11-18(15-21(20)31-2)22(27-25(29)17-7-4-3-5-8-17)19-12-10-16-9-6-14-26-23(16)24(19)28/h3-15,22,28H,1-2H3,(H,27,29) | PDB
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| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM119070
(Cnicin (compound 5))Show SMILES OC[C@@H](O)C(=C)C(=O)OC1C\C=C\CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12 |r,t:11,17| Show InChI InChI=1S/C19H24O7/c1-11(14(22)10-21)18(23)25-15-7-5-3-4-6-13(9-20)8-16-17(15)12(2)19(24)26-16/h3,5,8,14-17,20-22H,1-2,4,6-7,9-10H2/b5-3+,13-8-/t14-,15?,16-,17-/m1/s1 | PDB
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| PC cid
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Similars
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| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
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