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PDB code 3VOB

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 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
Cell division protein FtsZ

  (306/307 > 99%)
(Staphylococcus aureus)
BDBM50079356
PNG
(CHEMBL511201)
Show SMILES NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F
Show InChI InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
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n/an/a 154n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FtsZ GTPase activity


Eur J Med Chem 95: 1-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.026
BindingDB Entry DOI: 10.7270/Q2S75J14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cell division protein FtsZ

  (306/307 > 99%)
(Staphylococcus aureus)
BDBM50079356
PNG
(CHEMBL511201)
Show SMILES NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F
Show InChI InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
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n/an/a 154n/an/an/an/an/an/a



Prolysis

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FtsZ GTPase activity


Science 321: 1673-5 (2008)


Article DOI: 10.1126/science.1159961
BindingDB Entry DOI: 10.7270/Q2HX1GG1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cell division protein FtsZ

  (306/307 > 99%)
(Staphylococcus aureus)
BDBM50079356
PNG
(CHEMBL511201)
Show SMILES NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F
Show InChI InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
PDB

UniProtKB/SwissProt

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MCE
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PubMed
n/an/a 154n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FtsZ GTPase activity


Bioorg Med Chem 24: 6354-6369 (2016)


Article DOI: 10.1016/j.bmc.2016.05.003
BindingDB Entry DOI: 10.7270/Q2SN0BZ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cell division protein FtsZ

  (306/307 > 99%)
(Staphylococcus aureus)
BDBM50079356
PNG
(CHEMBL511201)
Show SMILES NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F
Show InChI InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Activation of Staphylococcus aureus FtsZ GTPase activity


ACS Med Chem Lett 6: 308-12 (2015)


Article DOI: 10.1021/ml500497s
BindingDB Entry DOI: 10.7270/Q2PV6N4C
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