| Reaction Details |
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 | Report a problem with these data |
| Target | Pantothenate synthetase |
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| Ligand | BDBM50446672 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1290904 (CHEMBL3118686) |
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| Ki | 3470±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 |
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| Synonyms: | Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group | PANC_MYCTU | Pantothenate synthetase | panC |
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| Type: | n/a |
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| Mol. Mass.: | 32675.10 |
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| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
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| Description: | ChEMBL_102878 |
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| Residue: | 309 |
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| Sequence: | MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGS
VVVVSIFVNPMQFGAGEDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQP
GPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVA
VVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLD
AAPGVAVDYLELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYR
AILESHWRN
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| BDBM50446672 |
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| n/a |
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| Name | BDBM50446672 |
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| Synonyms: | CHEMBL3113592 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H27N7O7S |
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| Mol. Mass. | 461.493 |
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| SMILES | CC(C)(CO)[C@@H](O)CNS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| |
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| Structure | 
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