Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM50446676
Substrate
n/a
Meas. Tech.
ChEMBL_1290904 (CHEMBL3118686)
Ki
270±n/a nM
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 Chem 22:1726-35 (2014) [PubMed]  Article 
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:
BDBM50446676
Synonyms:
CHEMBL1230349
Type:
Small organic molecule
Emp. Form.:
C16H24N6O8S
Mol. Mass.:
460.462
SMILES:
CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
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