Reaction Details |
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Target | Leucine--tRNA ligase |
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Ligand | BDBM50241779 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1670423 (CHEMBL4020311) |
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IC50 | 200±n/a nM |
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Citation | Li, X; Hernandez, V; Rock, FL; Choi, W; Mak, YSL; Mohan, M; Mao, W; Zhou, Y; Easom, EE; Plattner, JJ; Zou, W; Pérez-Herrán, E; Giordano, I; Mendoza-Losana, A; Alemparte, C; Rullas, J; Angulo-Barturen, I; Crouch, S; Ortega, F; Barros, D; Alley, MRK Discovery of a Potent and Specific M. tuberculosis Leucyl-tRNA Synthetase Inhibitor: (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol (GSK656). J Med Chem60:8011-8026 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Leucine--tRNA ligase |
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Name: | Leucine--tRNA ligase |
Synonyms: | 6.1.1.4 | LeuRS | Leucine--tRNA ligase | Leucyl-tRNA synthetase | SYL_MYCTU | leuS |
Type: | PROTEIN |
Mol. Mass.: | 107566.69 |
Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Description: | ChEMBL_117449 |
Residue: | 969 |
Sequence: | MTESPTAGPGGVPRADDADSDVPRYRYTAELAARLERTWQENWARLGTFNVPNPVGSLAP
PDGAAVPDDKLFVQDMFPYPSGEGLHVGHPLGYIATDVYARYFRMVGRNVLHALGFDAFG
LPAEQYAVQTGTHPRTRTEANVVNFRRQLGRLGFGHDSRRSFSTTDVDFYRWTQWIFLQI
YNAWFDTTANKARPISELVAEFESGARCLDGGRDWAKLTAGERADVIDEYRLVYRADSLV
NWCPGLGTVLANEEVTADGRSDRGNFPVFRKRLRQWMMRITAYADRLLDDLDVLDWPEQV
KTMQRNWIGRSTGAVALFSARAASDDGFEVDIEVFTTRPDTLFGATYLVLAPEHDLVDEL
VAASWPAGVNPLWTYGGGTPGEAIAAYRRAIAAKSDLERQESREKTGVFLGSYAINPANG
EPVPIFIADYVLAGYGTGAIMAVPGHDQRDWDFARAFGLPIVEVIAGGNISESAYTGDGI
LVNSDYLNGMSVPAAKRAIVDRLESAGRGRARIEFKLRDWLFARQRYWGEPFPIVYDSDG
RPHALDEAALPVELPDVPDYSPVLFDPDDADSEPSPPLAKATEWVHVDLDLGDGLKPYSR
DTNVMPQWAGSSWYELRYTDPHNSERFCAKENEAYWMGPRPAEHGPDDPGGVDLYVGGAE
HAVLHLLYSRFWHKVLYDLGHVSSREPYRRLVNQGYIQAYAYTDARGSYVPAEQVIERGD
RFVYPGPDGEVEVFQEFGKIGKSLKNSVSPDEICDAYGADTLRVYEMSMGPLEASRPWAT
KDVVGAYRFLQRVWRLVVDEHTGETRVADGVELDIDTLRALHRTIVGVSEDFAALRNNTA
TAKLIEYTNHLTKKHRDAVPRAAVEPLVQMLAPLAPHIAEELWLRLGNTTSLAHGPFPKA
DAAYLVDETVEYPVQVNGKVRGRVVVAADTDEETLKAAVLTDEKVQAFLAGATPRKVIVV
AGRLVNLVI
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BDBM50241779 |
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n/a |
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Name | BDBM50241779 |
Synonyms: | CHEMBL4082159 |
Type | Small organic molecule |
Emp. Form. | C10H14BCl2NO4 |
Mol. Mass. | 293.939 |
SMILES | Cl.NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCO |r| |
Structure |
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