Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'hrast' and Initial = 'm'   

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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG 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 GoogleScholar AffyNet	Purchase MCE KEGG 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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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))	BDBM50046818 (CHEMBL3310464) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli MurD using D-Glu substrate by steady-state enzyme kinetics assay				Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50046818 (CHEMBL3310464) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Partial non-competitive inhibition of Escherichia coli MurD using UMA substrate by steady-state enzyme kinetics assay				Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50046818 (CHEMBL3310464) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Partial un-competitive inhibition of Escherichia coli MurD using ATP substrate by steady-state enzyme kinetics assay				Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ
					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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572196 (CHEMBL4879265) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572198 (CHEMBL4873479) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572194 (CHEMBL4862136) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572195 (CHEMBL4868908) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572201 (CHEMBL4864750) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572200 (CHEMBL4862951) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572199 (CHEMBL4866999) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)cc3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572197 (CHEMBL4879088) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572193 (CHEMBL4873185) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572192 (CHEMBL4858549) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572191 (CHEMBL4861727) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar 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
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572198 (CHEMBL4873479) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)c(F)c3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572196 (CHEMBL4879265) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572198 (CHEMBL4873479) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572196 (CHEMBL4879265) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					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 SMILES O=c1n([se]c2ccccc12)-c1ccccc1 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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572203 (CHEMBL4855172) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)cn3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572201 (CHEMBL4864750) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572197 (CHEMBL4879088) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572195 (CHEMBL4868908) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
UDP-N-acetylglucosamine 1-carboxyvinyltransferase (Escherichia coli K-12 (Enterobacteria))	BDBM119067 (RWJ-3981 (compound 2)) Show SMILES Clc1ssc(=O)c1-c1ccccc1 Show InChI InChI=1S/C9H5ClOS2/c10-8-7(9(11)13-12-8)6-4-2-1-3-5-6/h1-5H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572197 (CHEMBL4879088) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Cl)c(F)c3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572194 (CHEMBL4862136) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572195 (CHEMBL4868908) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylglucosamine 1-carboxyvinyltransferase (Escherichia coli K-12 (Enterobacteria))	BDBM119073 (MurA inhibitor (compound 9)) Show SMILES Oc1cc(Cl)c2oc(=O)sc2c1Cl Show InChI InChI=1S/C7H2Cl2O3S/c8-2-1-3(10)4(9)6-5(2)12-7(11)13-6/h1,10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572193 (CHEMBL4873185) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572202 (CHEMBL4874688) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)nc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572200 (CHEMBL4862951) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572199 (CHEMBL4866999) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)cc3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	374	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572192 (CHEMBL4858549) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572201 (CHEMBL4864750) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3F)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	725	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572194 (CHEMBL4862136) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(F)c3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2 (Staphylococcus aureus (Firmicutes))	BDBM119073 (MurA inhibitor (compound 9)) Show SMILES Oc1cc(Cl)c2oc(=O)sc2c1Cl 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 GoogleScholar AffyNet	Purchase 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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572200 (CHEMBL4862951) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3F)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572191 (CHEMBL4861727) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)cc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50572199 (CHEMBL4866999) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)cc3F)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair

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