Target
Bifunctional chorismate mutase/prephenate dehydratase
Ligand
BDBM50030314
Substrate
n/a
Meas. Tech.
ChEMBL_1431488 (CHEMBL3389853)
IC50
32000±n/a nM
Citation
 Meneely, KMLuo, QRiley, APTaylor, BRoy, AStein, RLPrisinzano, TELamb, AL Expanding the results of a high throughput screen against an isochorismate-pyruvate lyase to enzymes of a similar scaffold or mechanism. Bioorg Med Chem 22:5961-9 (2014) [PubMed]  Article 
Target
Name:
Bifunctional chorismate mutase/prephenate dehydratase
Synonyms:
CM | CMPDT_ECOLI | Chorismate mutase | JW2580 | P-protein | PDT | Prephenate dehydratase | pheA
Type:
PROTEIN
Mol. Mass.:
43112.35
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_109500
Residue:
386
Sequence:
MTSENPLLALREKISALDEKLLALLAERRELAVEVGKAKLLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLIIEDSVLTQQALLQQHLNKINPHSARIAFLGPKGSYSHLAARQYAARHFEQFIESGCAKFADIFNQVETGQADYAVVPIENTSSGAINDVYDLLQHTSLSIVGEMTLTIDHCLLVSGTTDLSTINTVYSHPQPFQQCSKFLNRYPHWKIEYTESTSAAMEKVAQAKSPHVAALGSEAGGTLYGLQVLERIEANQRQNFTRFVVLARKAINVSDQVPAKTTLLMATGQQAGALVEALLVLRNHNLIMTRLESRPIHGNPWEEMFYLDIQANLESAEMQKALKELGEITRSMKVLGCYPSENVVPVDPT
  
Inhibitor
Name:
BDBM50030314
Synonyms:
CHEMBL3343825
Type:
Small organic molecule
Emp. Form.:
C9H4N2O9S
Mol. Mass.:
316.201
SMILES:
COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O
Structure:
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