Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50447033
Substrate
n/a
Meas. Tech.
ChEMBL_1289379 (CHEMBL3116711)
IC50
61000±n/a nM
Citation
 Hrast, M; Anderluh, M; Knez, D; Randall, CP; Barreteau, H; O'Neill, AJ; Blanot, D; Gobec, S Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold. Eur J Med Chem 73:83-96 (2014) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
50454.04
Organism:
Streptococcus pneumoniae
Description:
ChEMBL_108028
Residue:
457
Sequence:
MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFENGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPTDKKVVRFGQGAELEITDLVERKDSLTFKANFLEQVLDLPVTGKYNATNAMIASYVALQEGVSEEQIHQAFQDLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGNQSVQLHNQMILSLSPDVLDTVIFYGEDIAELAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLSANDQILLKGSNSMNLAMLVESLENETK
  
Inhibitor
Name:
BDBM50447033
Synonyms:
CHEMBL3116333
Type:
Small organic molecule
Emp. Form.:
C26H24ClN7O2S
Mol. Mass.:
534.032
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#7](-[#6]-c3ccc(cc3)C#N)-[#6]-[#6]-c2c1C#N
Structure:
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