Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM50400280
Substrate
n/a
Meas. Tech.
ChEMBL_872580 (CHEMBL2183382)
Ki
300±n/a nM
Citation
 Škedelj, V; Tomašic, T; Mašic, LP; Zega, A ATP-binding site of bacterial enzymes as a target for antibacterial drug design. J Med Chem 54:915-29 (2011) [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:
BDBM50400280
Synonyms:
CHEMBL2181058
Type:
Small organic molecule
Emp. Form.:
C15H22N6O9S
Mol. Mass.:
462.435
SMILES:
COCCC(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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