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Target
Bifunctional chorismate mutase/prephenate dehydratase
Ligand
BDBM50030313
Substrate
n/a
Meas. Tech.
ChEMBL_1431488 (CHEMBL3389853)
IC50
85000±n/a nM
Citation
 Meneely, KM; Luo, Q; Riley, AP; Taylor, B; Roy, A; Stein, RL; Prisinzano, TE; Lamb, 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:
BDBM50030313
Synonyms:
CHEMBL3343828
Type:
Small organic molecule
Emp. Form.:
C16H9N3O7S
Mol. Mass.:
387.324
SMILES:
Oc1c(\C=C2\SC(=O)N(C2=O)c2ccccc2)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Structure:
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