Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM50347134
Substrate
n/a
Meas. Tech.
ChEMBL_753306 (CHEMBL1799517)
Ki
1400±n/a nM
Citation
 Yang, Y; Gao, P; Liu, Y; Ji, X; Gan, M; Guan, Y; Hao, X; Li, Z; Xiao, C A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition. Bioorg Med Chem Lett 21:3943-6 (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:
BDBM50347134
Synonyms:
CHEMBL1797249
Type:
Small organic molecule
Emp. Form.:
C17H16N2O3
Mol. Mass.:
296.3205
SMILES:
COC(=O)c1cc2c(OCc3ccccc3)cc(N)cc2[nH]1
Structure:
Search PDB for entries with ligand similarity: