Reaction Details
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Pantothenate synthetase
Ligand
BDBM37295
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
Extracted from aid = 375 and tid = 22
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:
BDBM37295
Synonyms:
MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide | N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide | N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide | SMR000023412 | cid_3240323
Type:
Small organic molecule
Emp. Form.:
C23H21ClN4O4
Mol. Mass.:
452.89
SMILES:
COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Structure:
