Reaction Details Report a problem with these data
Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50281345
Substrate
n/a
Meas. Tech.
ChEBML_65094
IC50
>90000000±n/a nM
Citation
 Corey, SD; Pansegrau, PD; Walker, MC; Sikorski, JA EPSP synthase inhibitor deisgn III. Synthesis & evaluation of a new 5-oxamic acid analog of EPSP which incorporates a malonate ether as a 3-phosphate mimic Bioorg Med Chem Lett 3:2857-2862 (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:
Search PDB for entries with ligand similarity: