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BDBM50281343 (3R,4S,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid::CHEMBL318618

SMILES: O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C(O)=O)OCC(O)=O

InChI Key: InChIKey=XNFMEARKEBLVHT-JKMUOGBPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281343   
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
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281343
PNG
((3R,4S,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...)
Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C(O)=O)OCC(O)=O
Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/t5-,6-,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).


Bioorg Med Chem Lett 3: 2857-2862 (1993)


Article DOI: 10.1016/S0960-894X(01)80779-4
BindingDB Entry DOI: 10.7270/Q2SX6D43
More data for this
Ligand-Target Pair
3D
3D Structure (docked)