Reaction Details Report a problem with these data
Target
Chorismate synthase
Ligand
BDBM50123111
Substrate
n/a
Meas. Tech.
ChEBML_49434
IC50
1100±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:
BDBM50123111
Synonyms:
4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-3-hydroxy-phenoxy}-butyronitrile | CHEMBL134861
Type:
Small organic molecule
Emp. Form.:
C19H15NO6
Mol. Mass.:
353.3255
SMILES:
Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(OCCCC#N)cc1O
Structure:
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