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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50447036
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:
BDBM50447036
Synonyms:
CHEMBL3116330
Type:
Small organic molecule
Emp. Form.:
C26H27ClN6O3S
Mol. Mass.:
539.049
SMILES:
[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6]-[#6]-c3c(-[#6]-2)sc(-[#7]-[#6](=O)-c2cc(-[#8]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])ccc2Cl)c3C#N)cc1
Structure:
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