Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM76246
Substrate
n/a
IC50
1664±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:
BDBM76246
Synonyms:
MLS001143266 | N-(3-bromobenzyl)-2-[(3-ethylisoxazol-5-yl)methyl]-5-phenyl-pyrazole-3-carboxamide | N-[(3-bromophenyl)methyl]-2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenyl-pyrazole-3-carboxamide | N-[(3-bromophenyl)methyl]-2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide | N-[(3-bromophenyl)methyl]-2-[(3-ethyl-5-isoxazolyl)methyl]-5-phenyl-3-pyrazolecarboxamide | SMR001227318 | cid_42601127
Type:
Small organic molecule
Emp. Form.:
C23H21BrN4O2
Mol. Mass.:
465.342
SMILES:
CCc1cc(Cn2nc(cc2C(=O)NCc2cccc(Br)c2)-c2ccccc2)on1
Structure:
Search PDB for entries with ligand similarity: