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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose-5-phosphate synthase' AND taxid = 243230   
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
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
PDB

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UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 4.30E+5n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Deinococcus radiodurans DXS


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM50026352
PNG
(CHEMBL3359034)
Show SMILES FC(F)(F)Oc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C15H11F3N2O/c16-15(17,18)21-12-5-3-4-11(8-12)9-20-10-19-13-6-1-2-7-14(13)20/h1-8,10H,9H2
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.95E+5n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Deinococcus radiodurans DXS


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 114n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to Deinococcus radiodurans DXS


Citation and Details
More data for this
Ligand-Target Pair