Reaction Details |
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Target | Anthranilate synthase component 1 |
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Ligand | BDBM50200013 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630882 (CHEMBL1113011) |
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Ki | 54000±n/a nM |
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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 Chem53:3718-29 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Anthranilate synthase component 1 |
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Name: | Anthranilate synthase component 1 |
Synonyms: | TRPE_SALTY | trpE |
Type: | PROTEIN |
Mol. Mass.: | 57080.90 |
Organism: | Salmonella typhimurium |
Description: | ChEMBL_630882 |
Residue: | 520 |
Sequence: | MQTPKPTLELLTCDAAYRENPTALFHQVCGDRPATLLLESADIDSKDDLKSLLLVDSALR
ITALGDTVTIQALSDNGASLLPLLDTALPAGVENDVLPAGRVLRFPPVSPLLDEDARLCS
LSVFDAFRLLQGVVNIPTQEREAMFFGGLFAYDLVAGFEALPHLEAGNNCPDYCFYLAET
LMVIDHQKKSTRIQASLFTASDREKQRLNARLAYLSQQLTQPAPPLPVTPVPDMRCECNQ
SDDAFGAVVRQLQKAIRAGEIFQVVPSRRFSLPCPSPLAAYYVLKKSNPSPYMFFMQDND
FTLFGASPESSLKYDAASRQIEIYPIAGTRPRGRRADGTLDRDLDSRIELDMRTDHKELS
EHLMLVDLARNDLARICTPGSRYVADLTKVDRYSYVMHLVSRVVGELRHDLDALHAYRAC
MNMGTLSGAPKVRAMQLIADAEGQRRGSYGGAVGYFTAHGDLDTCIVIRSALVENGIATV
QAGAGIVLDSVPQSEADETRNKARAVLRAIATAHHAQETF
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BDBM50200013 |
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n/a |
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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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