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SMILES: CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C

InChI Key: InChIKey=LIVXWXAMTVJGCO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303504   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pteridine reductase 1


(Leishmania major)
BDBM50303504
PNG
(2,4-diamino-6,7-diisopropylpteridin-1-ium | 6,7-bi...)
Show SMILES CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C
Show InChI InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)
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Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair