Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM57561
Substrate
n/a
IC50
460.08±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:
BDBM57561
Synonyms:
1-[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea | 1-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-1-(2-phenylethyl)thiourea | 1-[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea | 1-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-3-phenyl-1-(2-phenylethyl)thiourea | 1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenyl-1-(2-phenylethyl)thiourea | MLS000588264 | SMR000212066 | cid_3718852
Type:
Small organic molecule
Emp. Form.:
C25H22BrN3O2S
Mol. Mass.:
508.43
SMILES:
Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: