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PDB code 3GN1

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Pteridine Reductase 1 (PTR1)

  (268/268 = 100%)
(Trypanosoma brucei brucei)
BDBM7960
PNG
(1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...)
Show SMILES Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
PDB
MMDB

KEGG

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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
2.88E+5 -20.1n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)

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