Reaction Details |
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Target | Anthranilate synthase component 1 |
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Ligand | BDBM50317144 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630882 (CHEMBL1113011) |
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Ki | 1020000±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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BDBM50317144 |
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n/a |
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Name | BDBM50317144 |
Synonyms: | CHEMBL1094071 | {3-[(S)-4-(4-Carbamoyl-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ylcarbamoyl)-4-(4-phenoxy-benzoylamino)-butylcarbamoyl]-phenoxy}-acetic acid |
Type | Small organic molecule |
Emp. Form. | C33H36N4O10S |
Mol. Mass. | 680.725 |
SMILES | NC(=O)C1(CCS(=O)(=O)CC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ccc(Oc2ccccc2)cc1 |r| |
Structure |
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