Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM37294
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
k3888r67854
Citation
 PubChem, PC Mycobacterium tuberculosis Pantothenate Synthetase Assay PubChem Bioassay (2006)[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:
BDBM37294
Synonyms:
MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide | N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | SMR000023601 | cid_3239873
Type:
Small organic molecule
Emp. Form.:
C19H19ClN4O2
Mol. Mass.:
370.833
SMILES:
Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: