Target
Pantothenate synthetase
Ligand
BDBM41555
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay
IC50
0.274±n/a nM
Citation
 PubChem, PC Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay PubChem Bioassay (2007)[AID] 
Target
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:
MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQFGAGEDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYRAILESHWRN
  
Inhibitor
Name:
BDBM41555
Synonyms:
5-tert-butyl-N-[1-[2-(trifluoromethyl)benzyl]pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide | 5-tert-butyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | 5-tert-butyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | AB00538135 | cid_16740891
Type:
Small organic molecule
Emp. Form.:
C23H25F3N4O2
Mol. Mass.:
446.4654
SMILES:
CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4C(F)(F)F)c3)c2C1
Structure:
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