Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM37302
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
k3888r67863
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:
BDBM37302
Synonyms:
MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide | N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-7-methoxy-4,5-dihydrobenz[g]indoxazene-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide | SMR000023681 | cid_3242904
Type:
Small organic molecule
Emp. Form.:
C24H21ClN4O3
Mol. Mass.:
448.902
SMILES:
COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Structure:
Search PDB for entries with ligand similarity: