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TargetPantothenate synthetase
LigandBDBM50373147
Substrate/Competitorn/a
Meas. Tech.ChEMBL_466900 (CHEMBL935788)
IC50 150±n/a nM
Citation Velaparthi, SBrunsteiner, MUddin, RWan, BFranzblau, SGPetukhov, 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
More Info.:Get all data from this article,  Assay Method
 
Pantothenate synthetase
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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  Blast E-value cutoff:
BDBM50373147
n/a
NameBDBM50373147
Synonyms:CHEMBL259507
TypeSmall organic molecule
Emp. Form.C22H25FN4O2
Mol. Mass.396.4579
SMILESCC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1 |w:4.3|
Structure
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