Found 27 hits with Last Name = 'florova' and Initial = 'g' 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 |
|---|
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201525
(1,1-dioxo-3-(4-phenoxy-benzyl)-1lambda6-thiazolidi...)Show InChI InChI=1S/C16H15NO4S/c18-16-17(10-11-22(16,19)20)12-13-6-8-15(9-7-13)21-14-4-2-1-3-5-14/h1-9H,10-12H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201521
(3-benzyl-1,1-dioxo-1lambda6-thiazolidin-2-one | CH...)Show InChI InChI=1S/C10H11NO3S/c12-10-11(6-7-15(10,13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Mycobacterium tuberculosis) | BDBM68278
(Decyl-CoA disulfide 5)Show SMILES CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C30H54N7O16P3S2/c1-4-5-6-7-8-9-10-11-15-57-58-16-14-32-21(38)12-13-33-28(41)25(40)30(2,3)52-56(47,48)53-55(45,46)49-17-20-24(51-54(42,43)44)23(39)29(50-20)37-19-36-22-26(31)34-18-35-27(22)37/h18-20,23-25,29,39-40H,4-17H2,1-3H3,(H,32,38)(H,33,41)(H,45,46)(H,47,48)(H2,31,34,35)(H2,42,43,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201524
(1,1-dioxo-3-phenethyl-1lambda6-thiazolidin-2-one |...)Show InChI InChI=1S/C11H13NO3S/c13-11-12(8-9-16(11,14)15)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201531
(3-[4-(4-cyclopentyl-phenoxy)-benzyl]-1,1-dioxo-1la...)Show SMILES O=C1N(Cc2ccc(Oc3ccc(cc3)C3CCCC3)cc2)CCS1(=O)=O Show InChI InChI=1S/C21H23NO4S/c23-21-22(13-14-27(21,24)25)15-16-5-9-19(10-6-16)26-20-11-7-18(8-12-20)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201522
(3-(4-phenoxybenzyl)thiazolidin-2-one | CHEMBL23454...)Show InChI InChI=1S/C16H15NO2S/c18-16-17(10-11-20-16)12-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9H,10-12H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201532
(3-benzylthiazolidin-2-one | CHEMBL396081)Show InChI InChI=1S/C10H11NOS/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201528
(3-(4-(4-cyclopentylphenoxy)benzyl)thiazolidin-2-on...)Show InChI InChI=1S/C21H23NO2S/c23-21-22(13-14-25-21)15-16-5-9-19(10-6-16)24-20-11-7-18(8-12-20)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201533
(3-(4-(4-cyclopentylphenoxy)benzyl)thiazolidine-2-t...)Show InChI InChI=1S/C21H23NOS2/c24-21-22(13-14-25-21)15-16-5-9-19(10-6-16)23-20-11-7-18(8-12-20)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201527
(3-(pyridin-3-ylmethyl)thiazolidin-2-one | CHEMBL39...)Show InChI InChI=1S/C9H10N2OS/c12-9-11(4-5-13-9)7-8-2-1-3-10-6-8/h1-3,6H,4-5,7H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Mycobacterium tuberculosis) | BDBM68277
(Octyl-CoA disulfide 4)Show SMILES CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.01E+4 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM68275
(Methyl-CoA disulfide 1)Show SMILES CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-5-4-12(29)23-6-7-49-48-3)43-47(38,39)44-46(36,37)40-8-11-15(42-45(33,34)35)14(30)20(41-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.71E+4 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201529
(3-phenethylthiazolidine-2-thione | CHEMBL232274)Show InChI InChI=1S/C11H13NS2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201520
(3-(pyridin-3-ylmethyl)thiazolidine-2-thione | CHEM...)Show InChI InChI=1S/C9H10N2S2/c12-9-11(4-5-13-9)7-8-2-1-3-10-6-8/h1-3,6H,4-5,7H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201518
(1,1-dioxo-3-propyl-1lambda6-thiazolidin-2-one | CH...)Show InChI InChI=1S/C6H11NO3S/c1-2-3-7-4-5-11(9,10)6(7)8/h2-5H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201519
(3-benzylthiazolidine-2-thione | CHEMBL394409)Show InChI InChI=1S/C10H11NS2/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201534
(3-(4-phenoxybenzyl)thiazolidine-2-thione | CHEMBL2...)Show InChI InChI=1S/C16H15NOS2/c19-16-17(10-11-20-16)12-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-12H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201523
(3-propylthiazolidine-2-thione | CHEMBL232277)Show InChI InChI=1S/C6H11NS2/c1-2-3-7-4-5-9-6(7)8/h2-5H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201530
(3-methylthiazolidine-2-thione | CHEMBL397404)Show InChI InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50201526
(3-methyl-1,1-dioxo-1lambda6-thiazolidin-2-one | CH...)Show InChI InChI=1S/C4H7NO3S/c1-5-2-3-9(7,8)4(5)6/h2-3H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Portland State University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett 17: 879-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM68276
(Sec-butyl-CoA disulfide 3)Show SMILES CCC(C)SSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C24H42N7O16P3S2/c1-5-13(2)52-51-9-8-26-15(32)6-7-27-22(35)19(34)24(3,4)46-50(41,42)47-49(39,40)43-10-14-18(45-48(36,37)38)17(33)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM68274
(Butyl-CoA disulfide 2)Show SMILES CCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C24H42N7O16P3S2/c1-4-5-9-51-52-10-8-26-15(32)6-7-27-22(35)19(34)24(2,3)46-50(41,42)47-49(39,40)43-11-14-18(45-48(36,37)38)17(33)23(44-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM68277
(Octyl-CoA disulfide 4)Show SMILES CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM68278
(Decyl-CoA disulfide 5)Show SMILES CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C30H54N7O16P3S2/c1-4-5-6-7-8-9-10-11-15-57-58-16-14-32-21(38)12-13-33-28(41)25(40)30(2,3)52-56(47,48)53-55(45,46)49-17-20-24(51-54(42,43)44)23(39)29(50-20)37-19-36-22-26(31)34-18-35-27(22)37/h18-20,23-25,29,39-40H,4-17H2,1-3H3,(H,32,38)(H,33,41)(H,45,46)(H,47,48)(H2,31,34,35)(H2,42,43,44) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Mycobacterium tuberculosis) | BDBM68275
(Methyl-CoA disulfide 1)Show SMILES CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-5-4-12(29)23-6-7-49-48-3)43-47(38,39)44-46(36,37)40-8-11-15(42-45(33,34)35)14(30)20(41-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Mycobacterium tuberculosis) | BDBM68274
(Butyl-CoA disulfide 2)Show SMILES CCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C24H42N7O16P3S2/c1-4-5-9-51-52-10-8-26-15(32)6-7-27-22(35)19(34)24(2,3)46-50(41,42)47-49(39,40)43-11-14-18(45-48(36,37)38)17(33)23(44-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Mycobacterium tuberculosis) | BDBM68276
(Sec-butyl-CoA disulfide 3)Show SMILES CCC(C)SSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C24H42N7O16P3S2/c1-5-13(2)52-51-9-8-26-15(32)6-7-27-22(35)19(34)24(3,4)46-50(41,42)47-49(39,40)43-10-14-18(45-48(36,37)38)17(33)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Portland State University
| Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi... |
Chem Biol 14: 513-24 (2007)
Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F |
More data for this
Ligand-Target Pair | |
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