Reaction Details Report a problem with these data
Target
Pantothenate kinase
Ligand
BDBM188493
Substrate
n/a
Meas. Tech.
Biochemical Assay (ATP at 50x Km)
IC50
6.9e+2±n/a nM
Citation
 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase. J Biol Chem 288:18260-70 (2013) [PubMed]  Article 
Target
Name:
Pantothenate kinase
Synonyms:
COAA_MYCTU | Pantothenate kinase (PanK) | coaA
Type:
Protein
Mol. Mass.:
35661.98
Organism:
Mycobacterium tuberculosis ATCC 25618/H37Rv
Description:
n/a
Residue:
312
Sequence:
MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL
  
Inhibitor
Name:
BDBM188493
Synonyms:
Triazole 1e
Type:
Small organic molecule
Emp. Form.:
C27H23F5N4O2S
Mol. Mass.:
562.554
SMILES:
CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1
Structure:
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