Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM37301
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
k3888r67862
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:
BDBM37301
Synonyms:
MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | N-[1-(4-methylbenzyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohept[d]isoxazole-3-carboxamide | N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide | SMR000023627 | cid_3242754
Type:
Small organic molecule
Emp. Form.:
C20H22N4O2
Mol. Mass.:
350.4143
SMILES:
Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Structure:
Search PDB for entries with ligand similarity: