Reaction Details Report a problem with these data
Target
Chorismate synthase
Ligand
BDBM50123098
Substrate
n/a
Meas. Tech.
ChEBML_49434
IC50
1800±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:
Chorismate synthase
Synonyms:
AROC_STRPN | aroC
Type:
PROTEIN
Mol. Mass.:
42869.22
Organism:
Streptococcus pneumoniae
Description:
ChEMBL_49433
Residue:
388
Sequence:
MRYLTAGESHGPRLTAIIEGIPAGLPLTAEDINEDLRRRQGGYGRGGRMKIENDQVVFTSGVRHGKTTGAPITMDVINKDHQKWLDIMSAEDIEDRLKSKRKITHPRPGHADLVGGIKYRFDDLRNSLERSSARETTMRVAVGAVAKRLLAELDMEIANHVVVFGGKEIDVPENLTVAEIKQRAAQSEVSIVNQEREQEIKDYIDQIKRDGDTIGGVVETVVGGVPVGLGSYVQWDRKLDARLAQAVVSINAFKGVEFGLGFEAGYRKGSQVMDEILWSKEDGYTRRTNNLGGFEGGMTNGQPIVVRGVMKPIPTLYKPLMSVDIETHEPYKATVERSDPTALPAAGMVMEAVVATVLAQEILEKFSSDNLEELKEAVAKHRDYTKNY
  
Inhibitor
Name:
BDBM50123098
Synonyms:
CHEMBL134581 | {2-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-phenoxy}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C17H12O7
Mol. Mass.:
328.273
SMILES:
OC(=O)COc1ccccc1\C=C1\Oc2c(ccc(O)c2O)C1=O
Structure:
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