Reaction Details |
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Target | Mycothiol S-conjugate amidase |
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Ligand | BDBM50117090 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_140808 |
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IC50 | 2800±n/a nM |
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Citation | Nicholas, GM; Eckman, LL; Ray, S; Hughes, RO; Pfefferkorn, JA; Barluenga, S; Nicolaou, KC; Bewley, CA Bromotyrosine-derived natural and synthetic products as inhibitors of mycothiol-S-conjugate amidase. Bioorg Med Chem Lett12:2487-90 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Mycothiol S-conjugate amidase |
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Name: | Mycothiol S-conjugate amidase |
Synonyms: | MCA_MYCTU | mca |
Type: | PROTEIN |
Mol. Mass.: | 32719.79 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_626858 |
Residue: | 288 |
Sequence: | MSELRLMAVHAHPDDESSKGAATLARYADEGHRVLVVTLTGGERGEILNPAMDLPDVHGR
IAEIRRDEMTKAAEILGVEHTWLGFVDSGLPKGDLPPPLPDDCFARVPLEVSTEALVRVV
REFRPHVMTTYDENGGYPHPDHIRCHQVSVAAYEAAGDFCRFPDAGEPWTVSKLYYVHGF
LRERMQMLQDEFARHGQRGPFEQWLAYWDPDHDFLTSRVTTRVECSKYFSQRDDALRAHA
TQIDPNAEFFAAPLAWQERLWPTEEFELARSRIPARPPETELFAGIEP
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BDBM50117090 |
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n/a |
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Name | BDBM50117090 |
Synonyms: | (E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-N-(2-{2-[3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propionylamino]-ethyldisulfanyl}-ethyl)-2-[(E)-hydroxyimino]-propionamide | 3-(3-Bromo-4-hydroxy-phenyl)-N-(2-{2-[3-(3-bromo-4-hydroxy-phenyl)-2-hydroxyimino-propionylamino]-ethyldisulfanyl}-ethyl)-2-hydroxyimino-propionamide | 3-(3-Bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[(E)-hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[(E)-hydroxyimino]-propionamide | 3-(3-bromo-4-hydroxy-phenyl)-N-[2-(2-{3-(3-bromo-4-hydroxy-phenyl)-2-[hydroxyimino]-propionylamino}-ethyldisulfanyl)-ethyl]-2-[hydroxyimino]-propionamide | CHEMBL83747 | Psammaplin A |
Type | Small organic molecule |
Emp. Form. | C22H24Br2N4O6S2 |
Mol. Mass. | 664.387 |
SMILES | Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br |
Structure |
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