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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MurE' and Ligand = 'BDBM119109'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
MurE


(Staphylococcus aureus)
BDBM119109
PNG
(MurE inhibitor (compound 51))
Show SMILES C[C@@H](CS(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O8S2/c1-14(13-31(27,28)22-18(20(25)26)11-12-19(23)24)21-32(29,30)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18,21-22H,11-13H2,1H3,(H,23,24)(H,25,26)/t14-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.81E+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