Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM41556
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay
IC50
36.3±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:
BDBM41556
Synonyms:
5-tert-butyl-N-[1-(4-iodobenzyl)pyrazol-4-yl]indoxazene-3-carboxamide | 5-tert-butyl-N-[1-[(4-iodophenyl)methyl]-4-pyrazolyl]-1,2-benzoxazole-3-carboxamide | 5-tert-butyl-N-[1-[(4-iodophenyl)methyl]pyrazol-4-yl]-1,2-benzoxazole-3-carboxamide | AB00538136 | cid_16740892
Type:
Small organic molecule
Emp. Form.:
C22H21IN4O2
Mol. Mass.:
500.3322
SMILES:
CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4ccc(I)cc4)c3)c2c1
Structure:
Search PDB for entries with ligand similarity: