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Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50281998
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:
BDBM50281998
Synonyms:
(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
Type:
Small organic molecule
Emp. Form.:
C7H10O5
Mol. Mass.:
174.1513
SMILES:
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O |r,c:3|
Structure:
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