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SMILES: [#7]\[#6](-[#7])=[#7+]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-[#6]-1=[#6](C#N)-[#6]-2-[#6]-[#6]-[#7](-[#6]-c3ccc(-[#8])cc3)-[#6]-[#6]-2-[#16]-1

InChI Key: InChIKey=BYTOVHJFAKZWBL-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 119116   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Escherichia coli)
BDBM119116
PNG
(MurF inhibitor (compound 58))
Show SMILES [#7]\[#6](-[#7])=[#7+]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-[#6]-1=[#6](C#N)-[#6]-2-[#6]-[#6]-[#7](-[#6]-c3ccc(-[#8])cc3)-[#6]-[#6]-2-[#16]-1 |c:18|
Show InChI InChI=1S/C25H27ClN6O3S/c26-21-6-5-17(35-10-8-30-25(28)29)11-19(21)23(34)31-24-20(12-27)18-7-9-32(14-22(18)36-24)13-15-1-3-16(33)4-2-15/h1-6,11,18,22,33H,7-10,13-14H2,(H,31,34)(H4,28,29,30)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/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))
BDBM119116
PNG
(MurF inhibitor (compound 58))
Show SMILES [#7]\[#6](-[#7])=[#7+]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-[#6]-1=[#6](C#N)-[#6]-2-[#6]-[#6]-[#7](-[#6]-c3ccc(-[#8])cc3)-[#6]-[#6]-2-[#16]-1 |c:18|
Show InChI InChI=1S/C25H27ClN6O3S/c26-21-6-5-17(35-10-8-30-25(28)29)11-19(21)23(34)31-24-20(12-27)18-7-9-32(14-22(18)36-24)13-15-1-3-16(33)4-2-15/h1-6,11,18,22,33H,7-10,13-14H2,(H,31,34)(H4,28,29,30)/p+1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/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