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PDB code 3ZU4

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Enoyl-ACP reductase T276S (T276S ypFabV)

  (399/399 = 100%)
(Yersinia pestis (Enterobacteria))
BDBM190653
PNG
(PT172)
Show SMILES CCCCCCc1ccn(Cc2ccccc2Cl)c(=O)c1
Show InChI InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Würzburg



Assay Description
IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...


Biochemistry 55: 2992-3006 (2016)


Article DOI: 10.1021/acs.biochem.5b01301
BindingDB Entry DOI: 10.7270/Q25D8QM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP reductase (Wt ypFabV)

  (398/399 > 99%)
(Yersinia pestis (Enterobacteria))
BDBM190653
PNG
(PT172)
Show SMILES CCCCCCc1ccn(Cc2ccccc2Cl)c(=O)c1
Show InChI InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



University of Würzburg



Assay Description
IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...


Biochemistry 55: 2992-3006 (2016)


Article DOI: 10.1021/acs.biochem.5b01301
BindingDB Entry DOI: 10.7270/Q25D8QM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output