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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'MurE (E. coli)' AND taxid = 696406   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MurE (E. coli)


(Escherichia coli UMNK88 (Enterobacteria))
BDBM119122
PNG
(MurA/B/C/D/E inhibitor (compound 67))
Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O
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/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurE (E. coli)


(Escherichia coli UMNK88 (Enterobacteria))
BDBM119094
PNG
(MurD/E inhibitor (compound 33))
Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(CC2SC(=S)N(C2=O)c2ccc3OCOc3c2)o1)C(O)=O
Show InChI InChI=1S/C23H15NO8S2/c25-20-19(34-23(33)24(20)14-1-3-17-18(8-14)31-10-30-17)9-15-2-4-16(32-15)11-5-12(21(26)27)7-13(6-11)22(28)29/h1-8,19H,9-10H2,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurE (E. coli)


(Escherichia coli UMNK88 (Enterobacteria))
BDBM119107
PNG
(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
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
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair