| Reaction Details |
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 | Report a problem with these data |
| Target | Methionine--tRNA ligase |
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| Ligand | BDBM50869 |
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| Substrate/Competitor | n/a |
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| IC50 | 1772±n/a nM |
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| Citation |  PubChem, PC Luminescence-based biochemical high throughput dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS) PubChem Bioassay(2013)[AID] |
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| More Info.: | Get all data from this article |
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| Methionine--tRNA ligase |
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| Name: | Methionine--tRNA ligase |
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| Synonyms: | methionyl-tRNA synthetase |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 86905.45 |
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| Organism: | Trypanosoma brucei brucei strain 927/4 GUTat10.1 |
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| Description: | gi_71746704 |
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| Residue: | 773 |
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| Sequence: | MALKLLSEKANSQALKVLLCSYYVKRPVEVSLSGAYATPILHHPAFKQPIIAPNEMARVI
LFYSVEPTSNNGGAADSSNGDGTASPVAGLTNLTLEHETWLEWEATTFTRAVHPLYTQRR
QTAESLAVFSYLDKKISENDDRCVYSPAVEGKGAADPTDAVSTFFIDCIVWCAVLPALCE
SGVLRDSEKQQLPHLVKWFNTFQKEQKTLIDNAFENLSVQEAADFLRCPRVYKVSAKVEK
VFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTDEHGQKVAEAAKQK
QVSPYDFTAAVAGEFKKCFEQMDYSIDYFIRTTNEQHKAVVKELWTKLEQKGDIYLGRYE
GWYSISDESFLTPQNITDGVDKDGNPCKVSLESGHVVTWVSEENYMFRLSAFRERLLEWY
HANPGCIVPEFRRREVIRAVEKGLPDLSVSRKKETLHNWAIPVPGNPDHCVYVWLDALTN
YLTGSRLRVDESGKEVSLADDFSELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLPK
KIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYSDKNMIA
RLNGELADTLGNLVMRCTSAKINVNGEWPSPAAYTEEDESLIQLIKDLPGTADHYYLIPD
IQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPERLRTVLYITLEGVRVTTLLLSPILPRK
SVVIFDMLGVPEVHRKGIENFEFGAVPPGTRLGPAVEGEVLFSKRSTENTKST
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| BDBM50869 |
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| n/a |
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| Name | BDBM50869 |
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| Synonyms: | 4-(benzenesulfonyl)-N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanamide | 4-(benzenesulfonyl)-N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanamide | 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-chlorophenyl)-4-(phenylsulfonyl)butanamide | 4-besyl-N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]butyramide | MLS000539966 | N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)butanamide | SMR000125424 | cid_3838289 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H17Cl2F3N2O3S |
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| Mol. Mass. | 517.348 |
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| SMILES | FC(F)(F)c1cnc(C(CCC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1 |
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| Structure | 
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