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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cell division protein zipA'   
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 ZipA


(Escherichia coli (strain K12))
BDBM50162319
PNG
(2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin...)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCN(CC[NH3+])CC2)cc1Cl
Show InChI InChI=1S/C22H26ClN7/c1-16-2-3-18(15-19(16)23)27-22-26-8-5-20(28-22)17-4-7-25-21(14-17)30-12-10-29(9-6-24)11-13-30/h2-5,7-8,14-15H,6,9-13,24H2,1H3,(H,26,27,28)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli ZipA assessed as inhibition of ZipA-FtsZ derived peptide interaction


Nature 450: 1001-1009 (2007)


Article DOI: 10.1038/nature06526
BindingDB Entry DOI: 10.7270/Q24Q7VTV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cell division protein ZipA


(Escherichia coli (strain K12))
BDBM50162319
PNG
(2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin...)
Show SMILES Cc1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCN(CC[NH3+])CC2)cc1Cl
Show InChI InChI=1S/C22H26ClN7/c1-16-2-3-18(15-19(16)23)27-22-26-8-5-20(28-22)17-4-7-25-21(14-17)30-12-10-29(9-6-24)11-13-30/h2-5,7-8,14-15H,6,9-13,24H2,1H3,(H,26,27,28)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.20E+4n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Affinity for ZipA bacterial protein


J Med Chem 48: 1489-95 (2005)


Article DOI: 10.1021/jm040163o
BindingDB Entry DOI: 10.7270/Q2K64JV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cell division protein ZipA


(Escherichia coli (strain K12))
BDBM50162321
PNG
(CHEMBL369180 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZ...)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1nnc2ccc(nn12)-c1ccccc1
Show InChI InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 8.31E+4n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli ZipA


Nature 450: 1001-1009 (2007)


Article DOI: 10.1038/nature06526
BindingDB Entry DOI: 10.7270/Q24Q7VTV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)