Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM41548
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay
IC50
108.2±n/a nM
Citation
 PubChem, PC Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay PubChem Bioassay (2007)[AID] 
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:
BDBM41548
Synonyms:
AB00514735 | N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-phenyl-indoxazene-3-carboxamide | N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-5-phenyl-1,2-benzoxazole-3-carboxamide | N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-benzoxazole-3-carboxamide | cid_16740884
Type:
Small organic molecule
Emp. Form.:
C24H17FN4O2
Mol. Mass.:
412.4158
SMILES:
Fc1ccc(Cn2cc(NC(=O)c3noc4ccc(cc34)-c3ccccc3)cn2)cc1
Structure:
Search PDB for entries with ligand similarity: