Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM95822
Substrate
n/a
IC50
1418±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:
BDBM95822
Synonyms:
2-[(8-fluoranyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]ethanamide | MLS001221987 | N-(4-Fluoro-benzyl)-2-(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetamide | N-(4-fluorobenzyl)-2-[(8-fluoro-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide | N-[(4-fluorophenyl)methyl]-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | N-[(4-fluorophenyl)methyl]-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide | SMR000607037 | cid_24793397
Type:
Small organic molecule
Emp. Form.:
C18H13F2N5OS
Mol. Mass.:
385.391
SMILES:
Fc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc32)cc1
Structure:
Search PDB for entries with ligand similarity: