BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)
LigandBDBM50137775
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 1e+3± 0 nM
Citation Stamper GFLongenecker KLFry EHJakob CGFlorjancic ASGu YGAnderson DDCooper CSZhang TClark RFCia YBlack-Schaefer CLOwen McCall JLerner CGHajduk PJBeutel BAStoll VS Structure-based optimization of MurF inhibitors. Chem Biol Drug Des 67:58-65 (2006) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)
Name:UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)
Synonyms:n/a
Type:Enzyme
Mol. Mass.:50435.04
Organism:Streptococcus pneumoniae
Description:G6LPB8
Residue:457
Sequence:
MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFE
NGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAH
LLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAI
VTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPTDKKVVRFGQGA
ELEITDLVERKDSLTFKANFLEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQ
DLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKEL
GDQSVQLHNQMILSLSPDVLDTVIFYGQDIAQLAQLASQMFPIGHVYYFKKTEDQDQFED
LVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50137775
n/a
NameBDBM50137775
Synonyms:2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE | 2,4-Dichloro-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-5-(morpholine-4-sulfonyl)-benzamide | CHEMBL327236 | MurF inhibitor, 1
TypeSmall organic molecule
Emp. Form.C20H19Cl2N3O4S2
Mol. Mass.500.419
SMILESClc1cc(Cl)c(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCOCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: