Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM41554
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay
IC50
0.128±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:
BDBM41554
Synonyms:
5-tert-butyl-N-[1-(2,4-difluorobenzyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide | 5-tert-butyl-N-[1-[(2,4-difluorophenyl)methyl]-4-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | 5-tert-butyl-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | AB00538134 | N-[1-[[2,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | cid_16740890
Type:
Small organic molecule
Emp. Form.:
C22H24F2N4O2
Mol. Mass.:
414.4484
SMILES:
CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1
Structure:
Search PDB for entries with ligand similarity: