Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50281344
Substrate
n/a
Meas. Tech.
ChEMBL_65094 (CHEMBL670571)
Ki
5200±n/a nM
Citation
 Corey, SDPansegrau, PDWalker, MCSikorski, 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:
BDBM50281344
Synonyms:
2-[(1R,5R,6S)-3-Carboxy-6-hydroxy-5-(oxalyl-amino)-cyclohex-2-enyloxy]-malonic acid | CHEMBL319218
Type:
Small organic molecule
Emp. Form.:
C12H13NO11
Mol. Mass.:
347.2317
SMILES:
O[C@H]1[C@@H](CC(=C[C@H]1OC(C(O)=O)C(O)=O)C(O)=O)NC(=O)C(O)=O |c:4|
Structure:
Search PDB for entries with ligand similarity: