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Target
Pantothenate synthetase
Ligand
BDBM50441669
Substrate
n/a
Meas. Tech.
ChEMBL_988136 (CHEMBL2439105)
IC50
39100±n/a nM
Citation
 Samala, G; Devi, PB; Nallangi, R; Yogeeswari, P; Sriram, D Development of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as novel Mycobacterium tuberculosis pantothenate synthetase inhibitors. Eur J Med Chem 69:356-64 (2013) [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:
BDBM50441669
Synonyms:
CHEMBL2435683
Type:
Small organic molecule
Emp. Form.:
C27H23N3O4S
Mol. Mass.:
485.554
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c(nn2C(=O)c1ccccc1)-c1ccccc1
Structure:
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