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Target
Methionine--tRNA ligase
Ligand
BDBM50124851
Substrate
n/a
Meas. Tech.
ChEMBL_105150 (CHEMBL716780)
IC50
3.9±n/a nM
Citation
 Jarvest, RL; Berge, JM; Brown, MJ; Brown, P; Elder, JS; Forrest, AK; Houge-Frydrych, CS; O'Hanlon, PJ; McNair, DJ; Rittenhouse, S; Sheppard, RJ Optimisation of aryl substitution leading to potent methionyl tRNA synthetase inhibitors with excellent gram-positive antibacterial activity. Bioorg Med Chem Lett 13:665-8 (2003) [PubMed]  Article 
Target
Name:
Methionine--tRNA ligase
Synonyms:
Methionyl-tRNA synthetase | SYM_ECOLI | metG
Type:
PROTEIN
Mol. Mass.:
76245.79
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_400681
Residue:
677
Sequence:
MTQVAKKILVTCALPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFICADDAHGTPIMLKAQQLGITPEQMIGEMSQEHQTDFAGFNISYDNYHSTHSEENRQLSELIYSRLKENGFIKNRTISQLYDPEKGMFLPDRFVKGTCPKCKSPDQYGDNCEVCGATYSPTELIEPKSVVSGATPVMRDSEHFFFDLPSFSEMLQAWTRSGALQEQVANKMQEWFESGLQQWDISRDAPYFGFEIPNAPGKYFYVWLDAPIGYMGSFKNLCDKRGDSVSFDEYWKKDSTAELYHFIGKDIVYFHSLFWPAMLEGSNFRKPSNLFVHGYVTVNGAKMSKSRGTFIKASTWLNHFDADSLRYYYTAKLSSRIDDIDLNLEDFVQRVNADIVNKVVNLASRNAGFINKRFDGVLASELADPQLYKTFTDAAEVIGEAWESREFGKAVREIMALADLANRYVDEQAPWVVAKQEGRDADLQAICSMGINLFRVLMTYLKPVLPKLTERAEAFLNTELTWDGIQQPLLGHKVNPFKALYNRIDMRQVEALVEASKEEVKAAAAPVTGPLADDPIQETITFDDFAKVDLRVALIENAEFVEGSDKLLRLTLDLGGEKRNVFSGIRSAYPDPQALIGRHTIMVANLAPRKMRFGISEGMVMAAGPGGKDIFLLSPDAGAKPGHQVK
  
Inhibitor
Name:
BDBM50124851
Synonyms:
4-Ethoxy-3-methyl-5-{[3-(4-oxo-1,4-dihydro-quinolin-2-ylamino)-propylamino]-methyl}-benzonitrile | CHEMBL159092
Type:
Small organic molecule
Emp. Form.:
C23H26N4O2
Mol. Mass.:
390.4781
SMILES:
CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N
Structure:
Search PDB for entries with ligand similarity: