Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Pantothenate synthetase
Ligand
BDBM37288
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
Extracted from aid = 375 and tid = 17
Citation
More Info.:
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:
BDBM37288
Synonyms:
5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide | 5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)pyrazol-3-yl]isoxazole-3-carboxamide | 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-isoxazolecarboxamide | 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide | MLS000087019 | SMR000023242 | cid_3236497
Type:
Small organic molecule
Emp. Form.:
C21H17ClN4O2
Mol. Mass.:
392.838
SMILES:
Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Structure:
