Reaction Details Report a problem with these data
Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50123088
Substrate
n/a
Meas. Tech.
ChEBML_65103
Ki
100±n/a nM
Citation
 Thomas, MG; Lawson, C; Allanson, NM; Leslie, BW; Bottomley, JR; McBride, A; Olusanya, OA A series of 2(Z)-2-benzylidene-6,7-dihydroxybenzofuran-3[2H]-ones as inhibitors of chorismate synthase. Bioorg Med Chem Lett 13:423-6 (2003) [PubMed]  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:
BDBM50123088
Synonyms:
6,7-Dihydroxy-2-[1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-benzofuran-3-one | CHEMBL337302
Type:
Small organic molecule
Emp. Form.:
C16H12O6
Mol. Mass.:
300.2629
SMILES:
COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: