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PDB code 5ZDQ

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alternative oxidase, mitochondrial

  (329/329 = 100%)
(Trypanosoma brucei brucei)
BDBM50464455
PNG
(CHEMBL4294528)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O
Show InChI InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged and SUMO-tagged Trypanosoma alternative oxidase expressed in Escherichia coli Rosetta2 using 1-ubiquinol as subs...


Eur J Med Chem 141: 676-689 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.067
BindingDB Entry DOI: 10.7270/Q2028V6C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alternative oxidase, mitochondrial

  (329/329 = 100%)
(Trypanosoma brucei brucei)
BDBM50464455
PNG
(CHEMBL4294528)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O
Show InChI InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged and SUMO-tagged Trypanosoma alternative oxidase expressed in Escherichia coli Rosetta2 using 1-ubiquinol as subs...


Eur J Med Chem 141: 676-689 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.067
BindingDB Entry DOI: 10.7270/Q2028V6C
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