Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM95837
Substrate
n/a
IC50
4274±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:
BDBM95837
Synonyms:
5-(dimethylsulfamoyl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-pyrrolidino-benzamide | 5-(dimethylsulfamoyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(1-pyrrolidinyl)benzamide | 5-(dimethylsulfamoyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylbenzamide | 5-(dimethylsulfamoyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrolidin-1-yl-benzamide | MLS001161558 | SMR000716131 | cid_16308914
Type:
Small organic molecule
Emp. Form.:
C23H30N4O4S
Mol. Mass.:
458.574
SMILES:
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: