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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50137758
Substrate
n/a
Meas. Tech.
ChEBML_212267
IC50
22±n/a nM
Citation
 Gu, YG; Florjancic, AS; Clark, RF; Zhang, T; Cooper, CS; Anderson, DD; Lerner, CG; McCall, JO; Cai, Y; Black-Schaefer, CL; Stamper, GF; Hajduk, PJ; Beutel, BA Structure-activity relationships of novel potent MurF inhibitors. Bioorg Med Chem Lett 14:267-70 (2003) [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:
BDBM50137758
Synonyms:
2,4-Dichloro-N-[3-cyano-6-(4-hydroxy-phenyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-5-(morpholine-4-sulfonyl)-benzamide | CHEMBL91242 | MurF inhibitor, 16
Type:
Small organic molecule
Emp. Form.:
C26H23Cl2N3O5S2
Mol. Mass.:
592.514
SMILES:
Oc1ccc(cc1)C1CCc2c(C1)sc(NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)c2C#N
Structure:
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