Target
Pantothenate synthetase
Ligand
BDBM37306
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
k3888r67868
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:
BDBM37306
Synonyms:
5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide | 5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide | 5-tert-butyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | 5-tert-butyl-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | MLS000087421 | SMR000023644 | cid_3244774
Type:
Small organic molecule
Emp. Form.:
C25H32N4O2
Mol. Mass.:
420.5472
SMILES:
Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: