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Target
Pantothenate synthetase
Ligand
BDBM50139062
Substrate
n/a
Meas. Tech.
ChEMBL_1547921 (CHEMBL3756998)
IC50
1120±n/a nM
Citation
 Malothu, N; Bhandaru, JS; Kulandaivelu, U; Jojula, M; Adidala, RR; K R, U; A V N, D; Kaki, VR; Akkinepally, RR Synthesis, in vitro antimycobacterial evaluation and docking studies of some new 5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one schiff bases. Bioorg Med Chem Lett 26:836-40 (2016) [PubMed]  Article 
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:
BDBM50139062
Synonyms:
CHEMBL3752173
Type:
Small organic molecule
Emp. Form.:
C20H18N4O4S2
Mol. Mass.:
442.511
SMILES:
NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(Cc3ccccc3)CCc12
Structure:
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