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Target
Anthranilate synthase component 1
Ligand
BDBM50200013
Substrate
n/a
Meas. Tech.
ChEMBL_630882 (CHEMBL1113011)
Ki
54000±n/a nM
Citation
 Ziebart, KT; Dixon, SM; Avila, B; El-Badri, MH; Guggenheim, KG; Kurth, MJ; Toney, MD Targeting multiple chorismate-utilizing enzymes with a single inhibitor: validation of a three-stage design. J Med Chem 53:3718-29 (2010) [PubMed]  Article 
Target
Name:
Anthranilate synthase component 1
Synonyms:
TRPE_SALTY | trpE
Type:
PROTEIN
Mol. Mass.:
57080.90
Organism:
Salmonella typhimurium
Description:
ChEMBL_630882
Residue:
520
Sequence:
MQTPKPTLELLTCDAAYRENPTALFHQVCGDRPATLLLESADIDSKDDLKSLLLVDSALRITALGDTVTIQALSDNGASLLPLLDTALPAGVENDVLPAGRVLRFPPVSPLLDEDARLCSLSVFDAFRLLQGVVNIPTQEREAMFFGGLFAYDLVAGFEALPHLEAGNNCPDYCFYLAETLMVIDHQKKSTRIQASLFTASDREKQRLNARLAYLSQQLTQPAPPLPVTPVPDMRCECNQSDDAFGAVVRQLQKAIRAGEIFQVVPSRRFSLPCPSPLAAYYVLKKSNPSPYMFFMQDNDFTLFGASPESSLKYDAASRQIEIYPIAGTRPRGRRADGTLDRDLDSRIELDMRTDHKELSEHLMLVDLARNDLARICTPGSRYVADLTKVDRYSYVMHLVSRVVGELRHDLDALHAYRACMNMGTLSGAPKVRAMQLIADAEGQRRGSYGGAVGYFTAHGDLDTCIVIRSALVENGIATVQAGAGIVLDSVPQSEADETRNKARAVLRAIATAHHAQETF
  
Inhibitor
Name:
BDBM50200013
Synonyms:
2-(3-(((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-5-(3-hydroxy-4-methyl-2-nitrobenzamido)-6-oxohexyl)carbamoyl)phenoxy)acetic acid | 2-(3-((S)-6-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-5-(3-hydroxy-4-methyl-2-nitrobenzamido)-6-oxohexylcarbamoyl)phenoxy)acetic acid | CHEMBL385837
Type:
Small organic molecule
Emp. Form.:
C32H34ClN5O10
Mol. Mass.:
684.093
SMILES:
Cc1ccc(C(=O)N[C@@H](CCCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O |r|
Structure:
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