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BDBM50045357 CHEBI:48928::CHEMBL1230513

SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O

InChI Key: InChIKey=BIRSGZKFKXLSJQ-LPBVRZIONA-N

Data: 1 Kd

PDB links: 14 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045357   
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
6-phosphogluconolactonase


(Trypanosoma brucei)
BDBM50045357
PNG
(CHEBI:48928 | CHEMBL1230513)
Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
Show InChI InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/s2
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PDB
Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to Trypanosoma brucei 6-phospho-gluconalactonase by NMR analysis


J Med Chem 57: 7819-37 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)