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Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50281345
Substrate
n/a
Meas. Tech.
ChEBML_64958
IC50
>90000000±n/a nM
Citation
 Miller, MJ; Anderson, KS; Braccolino, DS; Cleary, DG; Gruys, KJ; Han, CY; Lin, KC; Pansegrau, PD; Ream, JE; Sammons, RD; Sikorski, JA EPSP synthase inhibitor design II. The importance of the 3-phosphate group for ligand binding at the shikimate-3-phosphate site & the identification of 3-malonate ethers as novel 3-phosphate mimics. Bioorg Med Chem Lett 3:1435-1440 (1993)    Article 
Target
Name:
3-phosphoshikimate 1-carboxyvinyltransferase
Synonyms:
5-enolpyruvylshikimate-3-phosphate synthase | AROA_ECOLI | aroA
Type:
PROTEIN
Mol. Mass.:
46089.22
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_65087
Residue:
427
Sequence:
MESLTLQPIARVDGTINLPGSKSVSNRALLLAALAHGKTVLTNLLDSDDVRHMLNALTALGVSYTLSADRTRCEIIGNGGPLHAEGALELFLGNAGTAMRPLAAALCLGSNDIVLTGEPRMKERPIGHLVDALRLGGAKITYLEQENYPPLRLQGGFTGGNVDVDGSVSSQFLTALLMTAPLAPEDTVIRIKGDLVSKPYIDITLNLMKTFGVEIENQHYQQFVVKGGQSYQSPGTYLVEGDASSASYFLAAAAIKGGTVKVTGIGRNSMQGDIRFADVLEKMGATICWGDDYISCTRGELNAIDMDMNHIPDAAMTIATAALFAKGTTTLRNIYNWRVKETDRLFAMATELRKVGAEVEEGHDYIRITPPEKLNFAEIATYNDHRMAMCFSLVALSDTPVTILDPKCTAKTFPDYFEQLARISQAA
  
Inhibitor
Name:
BDBM50281345
Synonyms:
(3R,4R,5R)-5-Carboxymethoxy-3,4-dihydroxy-cyclohex-1-enecarboxylic acid | 5-Carboxymethoxy-3,4-dihydroxy-cyclohex-1-enecarboxylic acid | CHEMBL32446
Type:
Small organic molecule
Emp. Form.:
C9H12O7
Mol. Mass.:
232.1874
SMILES:
O[C@@H]1C=C(C[C@@H](OCC(O)=O)[C@@H]1O)C(O)=O |c:2|
Structure:
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