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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 5768   
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
3-dehydroquinate synthase


(Escherichia coli (strain K12))
BDBM93206
PNG
(2,4,5-trihydroxy-6-(phosphonatomethyl)oxane-2-carb...)
Show SMILES OC1CC(O)(OC(CP([O-])([O-])=O)C1O)C([O-])=O
Show InChI InChI=1S/C7H13O9P/c8-3-1-7(12,6(10)11)16-4(5(3)9)2-17(13,14)15/h3-5,8-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/p-3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Harvard University



Assay Description
Enzyme inhibition using dehydroquinate synthase.


Biochemistry 28: 7572-82 (1989)


Article DOI: 10.1021/bi00445a011
BindingDB Entry DOI: 10.7270/Q24J0CRS
More data for this
Ligand-Target Pair
3-dehydroquinate synthase


(Escherichia coli (strain K12))
BDBM93205
PNG
(4,5-dihydroxy-6-(phosphonatomethyl)oxane-2-carboxy...)
Show SMILES OC1CC(OC(CP([O-])([O-])=O)C1O)C([O-])=O
Show InChI InChI=1S/C7H13O8P/c8-3-1-4(7(10)11)15-5(6(3)9)2-16(12,13)14/h3-6,8-9H,1-2H2,(H,10,11)(H2,12,13,14)/p-3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Harvard University



Assay Description
Enzyme inhibition using dehydroquinate synthase.


Biochemistry 28: 7572-82 (1989)


Article DOI: 10.1021/bi00445a011
BindingDB Entry DOI: 10.7270/Q24J0CRS
More data for this
Ligand-Target Pair