Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50137768
Substrate
n/a
Meas. Tech.
ChEBML_212267
IC50
70.0±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:
BDBM50137768
Synonyms:
2,4-Dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-5-(morpholine-4-sulfonyl)-benzamide | CHEMBL329389
Type:
Small organic molecule
Emp. Form.:
C26H23Cl2N3O4S2
Mol. Mass.:
576.515
SMILES:
Clc1cc(Cl)c(cc1C(=O)Nc1sc2CC(CCc2c1C#N)c1ccccc1)S(=O)(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: