Reaction Details |
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Target | Pantothenate synthetase |
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Ligand | BDBM50373140 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_466900 (CHEMBL935788) |
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IC50 | 130±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 |
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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BDBM50373140 |
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n/a |
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Name | BDBM50373140 |
Synonyms: | CHEMBL261486 |
Type | Small organic molecule |
Emp. Form. | C22H24F2N4O2 |
Mol. Mass. | 414.4484 |
SMILES | CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1 |w:4.3| |
Structure |
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