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Target
Pantothenate synthetase
Ligand
BDBM50456583
Substrate
n/a
Meas. Tech.
ChEMBL_1757436 (CHEMBL4192444)
IC50
1010±n/a nM
Citation
 Zhang, S; Xu, Z; Gao, C; Ren, QC; Chang, L; Lv, ZS; Feng, LS Triazole derivatives and their anti-tubercular activity. Eur J Med Chem 138:501-513 (2017) [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:
BDBM50456583
Synonyms:
CHEMBL4206335
Type:
Small organic molecule
Emp. Form.:
C29H27N7O2
Mol. Mass.:
505.5704
SMILES:
COc1ccc(cc1)-n1cc(Cn2nc(c3CN(CCc23)C(=O)Nc2ccccc2)-c2ccccc2)nn1
Structure:
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