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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM81630
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
6e+3±n/a nM
Citation
 Stamper, GF; Longenecker, KL; Fry, EH; Jakob, CG; Florjancic, AS; Gu, YG; Anderson, DD; Cooper, CS; Zhang, T; Clark, RF; Cia, Y; Black-Schaefer, CL; Owen McCall, J; Lerner, CG; Hajduk, PJ; Beutel, BA; Stoll, VS Structure-based optimization of MurF inhibitors. Chem Biol Drug Des 67:58-65 (2006) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Synonyms:
MurF (S. pneumoniae) | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF) | UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase
Type:
Protein
Mol. Mass.:
50482.72
Organism:
Streptococcus pneumoniae (Firmicutes)
Description:
S. pneumoniae MurF
Residue:
457
Sequence:
MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFENGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPIDKKVVRFGQGAELEITDLVERKDSLTFKANFLEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQHLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK
  
Inhibitor
Name:
BDBM81630
Synonyms:
MurF inhibitor, 14
Type:
Small organic molecule
Emp. Form.:
C23H21ClN4O4S2
Mol. Mass.:
517.02
SMILES:
Clc1ccc(cc1C(=O)Nc1sc(CCc2ccccn2)cc1C#N)S(=O)(=O)N1CCOCC1
Structure:
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