new BindingDB logo
myBDB logout

BDBM119094 MurD/E inhibitor (compound 33)

SMILES: OC(=O)c1cc(cc(c1)-c1ccc(CC2SC(=S)N(C2=O)c2ccc3OCOc3c2)o1)C(O)=O

InChI Key: InChIKey=TWGQEYFAYVADIL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119094   
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
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
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)


Article DOI: 10.1016/j.bioorg.2014.03.008
More data for this
Ligand-Target Pair