Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50280239
Substrate
n/a
Meas. Tech.
ChEMBL_65090 (CHEMBL673147)
Ki
7400±n/a nM
Citation
 Marzabadi, MRFont, JLGruys, KJPansegrau, PDSikorski, 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:
BDBM50280239
Synonyms:
(3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-enyl)-carboxymethyl-phosphonomethyl-ammonium
Type:
Small organic molecule
Emp. Form.:
C10H12NO12P2
Mol. Mass.:
400.152
SMILES:
O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8|
Structure:
Search PDB for entries with ligand similarity: