Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM95810
Substrate
n/a
IC50
1544±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:
BDBM95810
Synonyms:
MLS000999870 | N-(4-Methoxy-benzyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetamide | N-[(4-methoxyphenyl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | N-[(4-methoxyphenyl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide | N-[(4-methoxyphenyl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetamide | N-p-anisyl-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetamide | SMR000607014 | cid_8917283
Type:
Small organic molecule
Emp. Form.:
C19H17N5O2S
Mol. Mass.:
379.436
SMILES:
COc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)cc1
Structure:
Search PDB for entries with ligand similarity: