Target
Pantothenate synthetase
Ligand
BDBM41539
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay
IC50
47.7±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:
BDBM41539
Synonyms:
5-(4-methoxyphenyl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]isoxazole-3-carboxamide | 5-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-isoxazolecarboxamide | 5-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide | AB00514601 | cid_16002459
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3
Mol. Mass.:
388.4192
SMILES:
COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cnn(Cc2ccccc2C)c1
Structure:
Search PDB for entries with ligand similarity: