Target
Pantothenate synthetase
Ligand
BDBM50446672
Substrate
n/a
Meas. Tech.
ChEMBL_1290904 (CHEMBL3118686)
Ki
3470±n/a nM
Citation
 Xu, ZYin, WMartinelli, LKEvans, JChen, JYu, YWilson, DJMizrahi, VQiao, CAldrich, 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:
BDBM50446672
Synonyms:
CHEMBL3113592
Type:
Small organic molecule
Emp. Form.:
C16H27N7O7S
Mol. Mass.:
461.493
SMILES:
CC(C)(CO)[C@@H](O)CNS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
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