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BDBM50281998 (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid::3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid::CHEMBL290345::[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid::shikimic acid

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

InChI Key: InChIKey=JXOHGGNKMLTUBP-HSUXUTPPSA-N

Data: 1 IC50

PDB links: 34 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281998   
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))
BDBM50281998
PNG
((3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carbox...)
Show SMILES O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
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KEGG

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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
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PDB
Article
n/an/a>9.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Bioorg Med Chem Lett 3: 1435-1440 (1993)

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