Target
Pantothenate synthetase
Ligand
BDBM37298
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
Extracted from aid = 375 and tid = 37
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:
BDBM37298
Synonyms:
MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohept[d]isoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide | SMR000023629 | cid_3241373
Type:
Small organic molecule
Emp. Form.:
C20H21ClN4O2
Mol. Mass.:
384.859
SMILES:
Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: