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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50137780
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
5.2e+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:
BDBM50137780
Synonyms:
2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide | CHEMBL90847 | MurF inhibitor, 8
Type:
Small organic molecule
Emp. Form.:
C19H19Cl2N3O3S2
Mol. Mass.:
472.408
SMILES:
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CCCc3c2C#N)c(Cl)cc1Cl
Structure:
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