Reaction Details
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Methionine--tRNA ligase
Ligand
BDBM95857
Substrate
n/a
IC50
672.14±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] More Info.:
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:
BDBM95857
Synonyms:
(2S,3R,12bS)-2-((benzo[d][1,3]dioxol-5-ylmethyl)(methyl)amino)-3-((S)-1-hydroxyethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4(12H)-one | (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one | (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-oxidanylethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one | (2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-2-[methyl(piperonyl)amino]-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]-carbolin-4-one | MLS002920945 | SMR001798410 | cid_46902355
Type:
Small organic molecule
Emp. Form.:
C26H29N3O4
Mol. Mass.:
447.5262
SMILES:
C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)Cc1ccc2OCOc2c1
Structure:
