Reaction Details
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Pantothenate synthetase
Ligand
BDBM37303
Substrate
n/a
Meas. Tech.
Mycobacterium tuberculosis Pantothenate Synthetase Assay
IC50
>100000±n/a nM
Comments
Extracted from aid = 375 and tid = 12
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:
BDBM37303
Synonyms:
5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide | 5-tert-butyl-N-[1-(4-methylbenzyl)pyrazol-3-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide | 5-tert-butyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | 5-tert-butyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide | MLS000087420 | SMR000023643 | cid_3243291
Type:
Small organic molecule
Emp. Form.:
C23H28N4O2
Mol. Mass.:
392.494
SMILES:
Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Structure:
