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PDB code 1Z8N

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetolactate synthase

  (582/585 > 99%)
(Arabidopsis thaliana)
BDBM50486241
PNG
(CHEBI:5869 | IMAZAQUIN)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase colorimetric assay


J Agric Food Chem 60: 8286-93 (2012)


Article DOI: 10.1021/jf302206x
BindingDB Entry DOI: 10.7270/Q2FX7DB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetolactate synthase

  (582/585 > 99%)
(Arabidopsis thaliana)
BDBM50487032
PNG
((R)-IMAZAQUIN)
Show SMILES CC(C)[C@@]1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana AHAS expressed in Escherichia coli strain BL21 (DE3) by colorimetric assay


Proc Natl Acad Sci U S A 103: 569-73 (2006)


Article DOI: 10.1073/pnas.0508701103
BindingDB Entry DOI: 10.7270/Q28W3H5N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetolactate synthase

  (582/585 > 99%)
(Arabidopsis thaliana)
BDBM50486241
PNG
(CHEBI:5869 | IMAZAQUIN)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
4.70E+5n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana acetohydroxyacid synthase W574L mutant colorimetric assay


J Agric Food Chem 60: 8286-93 (2012)


Article DOI: 10.1021/jf302206x
BindingDB Entry DOI: 10.7270/Q2FX7DB2
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