Reaction Details |
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Target | Pantothenate synthetase |
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Ligand | BDBM50446674 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1290904 (CHEMBL3118686) |
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Ki | 990±n/a nM |
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Citation | Xu, Z; Yin, W; Martinelli, LK; Evans, J; Chen, J; Yu, Y; Wilson, DJ; Mizrahi, V; Qiao, C; Aldrich, CC Reaction intermediate analogues as bisubstrate inhibitors of pantothenate synthetase. Bioorg Med Chem22:1726-35 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Pantothenate synthetase |
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Name: | Pantothenate synthetase |
Synonyms: | Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group | PANC_MYCTU | Pantothenate synthetase | panC |
Type: | n/a |
Mol. Mass.: | 32675.10 |
Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Description: | ChEMBL_102878 |
Residue: | 309 |
Sequence: | MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGS
VVVVSIFVNPMQFGAGEDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQP
GPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVA
VVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLD
AAPGVAVDYLELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYR
AILESHWRN
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BDBM50446674 |
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n/a |
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Name | BDBM50446674 |
Synonyms: | CHEMBL3113590 |
Type | Small organic molecule |
Emp. Form. | C16H23FN6O7S |
Mol. Mass. | 462.453 |
SMILES | CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| |
Structure |
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