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BDBM31936 1,3-thiazolidin-5-ylidene derivative, 2

SMILES: COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O

InChI Key: InChIKey=BLYOIVXXTIAFFL-DRMKFXMXSA-N

Data: 1 Other

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 31936   
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
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))
BDBM31936
PNG
(1,3-thiazolidin-5-ylidene derivative, 2)
Show SMILES COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C24H19ClN2O5S/c1-31-12-11-27-22(28)21(33-24(27)26-16-5-3-2-4-6-16)14-17-8-10-20(32-17)15-7-9-19(25)18(13-15)23(29)30/h2-10,13-14H,11-12H2,1H3,(H,29,30)/b21-14+,26-24+
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...


J Med Chem 52: 2465-81 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)