Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50137765
Substrate
n/a
Meas. Tech.
ChEBML_212267
IC50
>100000±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:
BDBM50137765
Synonyms:
2-(2-Chloro-5-diethylsulfamoyl-benzoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester | CHEMBL328899
Type:
Small organic molecule
Emp. Form.:
C21H25ClN2O5S2
Mol. Mass.:
485.017
SMILES:
CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N(CC)CC)sc2CCCc12
Structure:
Search PDB for entries with ligand similarity: