BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMethionine--tRNA ligase
LigandBDBM95760
Substrate/Competitorn/a
IC50 270±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.:Get all data from this article
 
Methionine--tRNA ligase
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:
MALKLLSEKANSQALKVLLCSYYVKRPVEVSLSGAYATPILHHPAFKQPIIAPNEMARVI
LFYSVEPTSNNGGAADSSNGDGTASPVAGLTNLTLEHETWLEWEATTFTRAVHPLYTQRR
QTAESLAVFSYLDKKISENDDRCVYSPAVEGKGAADPTDAVSTFFIDCIVWCAVLPALCE
SGVLRDSEKQQLPHLVKWFNTFQKEQKTLIDNAFENLSVQEAADFLRCPRVYKVSAKVEK
VFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTDEHGQKVAEAAKQK
QVSPYDFTAAVAGEFKKCFEQMDYSIDYFIRTTNEQHKAVVKELWTKLEQKGDIYLGRYE
GWYSISDESFLTPQNITDGVDKDGNPCKVSLESGHVVTWVSEENYMFRLSAFRERLLEWY
HANPGCIVPEFRRREVIRAVEKGLPDLSVSRKKETLHNWAIPVPGNPDHCVYVWLDALTN
YLTGSRLRVDESGKEVSLADDFSELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLPK
KIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYSDKNMIA
RLNGELADTLGNLVMRCTSAKINVNGEWPSPAAYTEEDESLIQLIKDLPGTADHYYLIPD
IQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPERLRTVLYITLEGVRVTTLLLSPILPRK
SVVIFDMLGVPEVHRKGIENFEFGAVPPGTRLGPAVEGEVLFSKRSTENTKST
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM95760
n/a
NameBDBM95760
Synonyms:(2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxamide | MLS000834573 | SMR000442110 | cid_16196985
TypeSmall organic molecule
Emp. Form.C24H26BrN3O4
Mol. Mass.500.385
SMILESOCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1ccc(Br)cc1 |c:9|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: