| Reaction Details |
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 | Report a problem with these data |
| Target | Pantothenate synthetase |
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| Ligand | BDBM50373138 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_466900 (CHEMBL935788) |
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| IC50 | 250±n/a nM |
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| Citation |  Velaparthi, S; Brunsteiner, M; Uddin, R; Wan, B; Franzblau, SG; Petukhov, PA 5-tert-butyl-N-pyrazol-4-yl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide derivatives as novel potent inhibitors of Mycobacterium tuberculosis pantothenate synthetase: initiating a quest for new antitubercular drugs. J Med Chem51:1999-2002 (2008) [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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| BDBM50373138 |
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| n/a |
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| Name | BDBM50373138 |
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| Synonyms: | CHEMBL410040 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H34N4O4 |
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| Mol. Mass. | 478.5833 |
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| SMILES | CC(C)(C)OC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:24.28| |
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| Structure | 
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