Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM95861
Substrate
n/a
IC50
1776±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:
BDBM95861
Synonyms:
2-[(3R,4S)-1-benzyl-4-(4-bromophenyl)-2-keto-pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide | 2-[(3R,4S)-1-benzyl-4-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-(4-bromophenyl)acetamide | KUC104803 | MLS003116282 | N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanamide | N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]acetamide | SMR001831835 | cid_46903037
Type:
Small organic molecule
Emp. Form.:
C25H22Br2N2O2
Mol. Mass.:
542.262
SMILES:
Brc1ccc(NC(=O)C[C@@H]2[C@H](CN(Cc3ccccc3)C2=O)c2ccc(Br)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: