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Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50280240
Substrate
n/a
Meas. Tech.
ChEMBL_65092 (CHEMBL673149)
Ki
15±n/a nM
Citation
 Marzabadi, MR; Font, JL; Gruys, KJ; Pansegrau, PD; Sikorski, JA Design & synthesis of a novel EPSP synthase inhibitor based on its ternary complex with shikimate-3-phosphate and glyphosate Bioorg Med Chem Lett 2:1435-1440 (1992)    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:
BDBM50280240
Synonyms:
(3R,4S,5R)-4-hydroxy-5-[(1S)-1-methyl-2-oxido-2-oxo-1-phosphonatoethoxy]-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C10H10O13P2
Mol. Mass.:
400.1294
SMILES:
C[C@@](O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O)(C([O-])=O)P([O-])([O-])=O |c:5|
Structure:
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