Reaction Details Report a problem with these data
Target
3-phosphoshikimate 1-carboxyvinyltransferase
Ligand
BDBM50123114
Substrate
n/a
Meas. Tech.
ChEBML_65103
Ki
650±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:
BDBM50123114
Synonyms:
2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-6,7-dihydroxy-benzofuran-3-one | CHEMBL334500
Type:
Small organic molecule
Emp. Form.:
C19H19NO4
Mol. Mass.:
325.3585
SMILES:
CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Structure:
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