Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM50869
Substrate
n/a
IC50
1772±n/a nM
Citation
 PubChem, PC Luminescence-based biochemical high throughput dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS) PubChem Bioassay (2013)[AID] 
Target
Name:
Methionine--tRNA ligase
Synonyms:
methionyl-tRNA synthetase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
86905.45
Organism:
Trypanosoma brucei brucei strain 927/4 GUTat10.1
Description:
gi_71746704
Residue:
773
Sequence:
MALKLLSEKANSQALKVLLCSYYVKRPVEVSLSGAYATPILHHPAFKQPIIAPNEMARVILFYSVEPTSNNGGAADSSNGDGTASPVAGLTNLTLEHETWLEWEATTFTRAVHPLYTQRRQTAESLAVFSYLDKKISENDDRCVYSPAVEGKGAADPTDAVSTFFIDCIVWCAVLPALCESGVLRDSEKQQLPHLVKWFNTFQKEQKTLIDNAFENLSVQEAADFLRCPRVYKVSAKVEKVFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTDEHGQKVAEAAKQKQVSPYDFTAAVAGEFKKCFEQMDYSIDYFIRTTNEQHKAVVKELWTKLEQKGDIYLGRYEGWYSISDESFLTPQNITDGVDKDGNPCKVSLESGHVVTWVSEENYMFRLSAFRERLLEWYHANPGCIVPEFRRREVIRAVEKGLPDLSVSRKKETLHNWAIPVPGNPDHCVYVWLDALTNYLTGSRLRVDESGKEVSLADDFSELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLPKKIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYSDKNMIARLNGELADTLGNLVMRCTSAKINVNGEWPSPAAYTEEDESLIQLIKDLPGTADHYYLIPDIQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPERLRTVLYITLEGVRVTTLLLSPILPRKSVVIFDMLGVPEVHRKGIENFEFGAVPPGTRLGPAVEGEVLFSKRSTENTKST
  
Inhibitor
Name:
BDBM50869
Synonyms:
4-(benzenesulfonyl)-N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanamide | 4-(benzenesulfonyl)-N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanamide | 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-chlorophenyl)-4-(phenylsulfonyl)butanamide | 4-besyl-N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]butyramide | MLS000539966 | N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)butanamide | SMR000125424 | cid_3838289
Type:
Small organic molecule
Emp. Form.:
C22H17Cl2F3N2O3S
Mol. Mass.:
517.348
SMILES:
FC(F)(F)c1cnc(C(CCC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: