Reaction Details Report a problem with these data
Target
Methionine--tRNA ligase
Ligand
BDBM95777
Substrate
n/a
IC50
1364±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:
BDBM95777
Synonyms:
(2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(1-benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(1-benzothiophen-3-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | MLS000834626 | SMR000442089 | cid_16745416
Type:
Small organic molecule
Emp. Form.:
C26H27N3O4S
Mol. Mass.:
477.575
SMILES:
OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1csc2ccccc12 |c:9|
Structure:
Search PDB for entries with ligand similarity: