Reaction Details Report a problem with these data
Target
Isoleucine--tRNA ligase, cytoplasmic
Ligand
BDBM50099082
Substrate
n/a
Meas. Tech.
ChEBML_220773
IC50
84000±n/a nM
Citation
 Lee, J; Kang, SU; Kim, SY; Kim, SE; Kang, MK; Jo, YJ; Kim, S Ester and hydroxamate analogues of methionyl and isoleucyl adenylates as inhibitors of methionyl-tRNA and isoleucyl-tRNA synthetases. Bioorg Med Chem Lett 11:961-4 (2001) [PubMed]  Article 
Target
Name:
Isoleucine--tRNA ligase, cytoplasmic
Synonyms:
IARS | IARS1 | Isoleucyl-tRNA synthetase | SYIC_HUMAN
Type:
PROTEIN
Mol. Mass.:
144489.34
Organism:
Homo sapiens (Human)
Description:
ChEMBL_88804
Residue:
1262
Sequence:
MLQQVPENINFPAEEEKILEFWTEFNCFQECLKQSKHKPKFTFYDGPPFATGLPHYGHILAGTIKDIVTRYAHQSGFHVDRRFGWDCHGLPVEYEIDKTLGIRGPEDVAKMGITEYNNQCRAIVMRYSAEWKSTVSRLGRWIDFDNDYKTLYPQFMESVWWVFKQLYDKGLVYRGVKVMPFSTACNTPLSNFESHQNYKDVQDPSVFVTFPLEEDETVSLVAWTTTPWTLPSNLAVCVNPEMQYVKIKDVARGRLLILMEARLSALYKLESDYEILERFPGAYLKGKKYRPLFDYFLKCKENGAFTVLVDNYVKEEEGTGVVHQAPYFGAEDYRVCMDFNIIRKDSLPVCPVDASGCFTTEVTDFAGQYVKDADKSIIRTLKEQGRLLVATTFTHSYPFCWRSDTPLIYKAVPSWFVRVENMVDQLLRNNDLCYWVPELVREKRFGNWLKDARDWTISRNRYWGTPIPLWVSDDFEEVVCIGSVAELEELSGAKISDLHRESVDHLTIPSRCGKGSLHRISEVFDCWFESGSMPYAQVHYPFENKREFEDAFPADFIAEGIDQTRGWFYTLLVLATALFGQPPFKNVIVNGLVLASDGQKMSKRKKNYPDPVSIIQKYGADALRLYLINSPVVRAENLRFKEEGVRDVLKDVLLPWYNAYRFLIQNVLRLQKEEEIEFLYNENTVRESPNITDRWILSFMQSLIGFFETEMAAYRLYTVVPRLVKFVDILTNWYVRMNRRRLKGENGMEDCVMALETLFSVLLSLCRLMAPYTPFLTELMYQNLKVLIDPVSVQDKDTLSIHYLMLPRVREELIDKKTESAVSQMQSVIELGRVIRDRKTIPIKYPLKEIVVIHQDPEALKDIKSLEKYIIEELNVRKVTLSTDKNKYGIRLRAEPDHMVLGKRLKGAFKAVMTSIKQLSSEELEQFQKTGTIVVEGHELHDEDIRLMYTFDQATGGTAQFEAHSDAQALVLLDVTPDQSMVDEGMAREVINRIQKLRKKCNLVPTDEITVYYKAKSEGTYLNSVIESHTEFIFTTIKAPLKPYPVSPSDKVLIQEKTQLKGSELEITLTRGSSLPGPACAYVNLNICANGSEQGGVLLLENPKGDNRLDLLKLKSVVTSIFGVKNTELAVFHDETEIQNQTDLLSLSGKTLCVTAGSAPSLINSSSTLLCQYINLQLLNAKPQECLMGTVGTLLLENPLGQNGLTHQGLLYEAAKVFGLRSRKLKLFLNETQTQEITEDIPVKTLNMKTVYVSVLPTTADF
  
Inhibitor
Name:
BDBM50099082
Synonyms:
(1S,2S)-1-{(2R,3S,4R,5S)-5-[2-(6-Benzylamino-purin-9-yl)-ethyl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxycarbonyl}-2-methyl-butyl-ammonium
Type:
Small organic molecule
Emp. Form.:
C25H35N6O5
Mol. Mass.:
499.5821
SMILES:
CC[C@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](CCn2cnc3c(NCc4ccccc4)ncnc23)[C@H](O)[C@@H]1O
Structure:
Search PDB for entries with ligand similarity: