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Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50280242
Substrate
n/a
Meas. Tech.
ChEMBL_64959 (CHEMBL675702)
Kd
7000±n/a nM
Citation
 Miller, MJ; Braccolino, DS; Clearly, DG; Ream, JE; Walker, MC; Sikorski, JA EPSP synthase inhibitor design IV. New aromatic substrate analogs and symmetrical inhibitors containing novel 3-phosphate mimics. Bioorg Med Chem Lett 4:2605-2608 (1994)    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:
BDBM50280242
Synonyms:
(3R,4S,5R)-4,5-Dihydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid | (3R,4S,5R)-4,5-dihydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate | 3-phosphoshikimate
Type:
Small organic molecule
Emp. Form.:
C7H8O8P
Mol. Mass.:
251.109
SMILES:
O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3|
Structure:
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