Target
Leucine--tRNA ligase
Ligand
BDBM50241756
Substrate
n/a
Meas. Tech.
ChEMBL_1670423 (CHEMBL4020311)
IC50
75±n/a nM
Citation
 Li, XHernandez, VRock, FLChoi, WMak, YSLMohan, MMao, WZhou, YEasom, EEPlattner, JJZou, WPérez-Herrán, EGiordano, IMendoza-Losana, AAlemparte, CRullas, JAngulo-Barturen, ICrouch, SOrtega, FBarros, DAlley, 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 Chem 60:8011-8026 (2017) [PubMed]  Article 
Target
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:
MTESPTAGPGGVPRADDADSDVPRYRYTAELAARLERTWQENWARLGTFNVPNPVGSLAPPDGAAVPDDKLFVQDMFPYPSGEGLHVGHPLGYIATDVYARYFRMVGRNVLHALGFDAFGLPAEQYAVQTGTHPRTRTEANVVNFRRQLGRLGFGHDSRRSFSTTDVDFYRWTQWIFLQIYNAWFDTTANKARPISELVAEFESGARCLDGGRDWAKLTAGERADVIDEYRLVYRADSLVNWCPGLGTVLANEEVTADGRSDRGNFPVFRKRLRQWMMRITAYADRLLDDLDVLDWPEQVKTMQRNWIGRSTGAVALFSARAASDDGFEVDIEVFTTRPDTLFGATYLVLAPEHDLVDELVAASWPAGVNPLWTYGGGTPGEAIAAYRRAIAAKSDLERQESREKTGVFLGSYAINPANGEPVPIFIADYVLAGYGTGAIMAVPGHDQRDWDFARAFGLPIVEVIAGGNISESAYTGDGILVNSDYLNGMSVPAAKRAIVDRLESAGRGRARIEFKLRDWLFARQRYWGEPFPIVYDSDGRPHALDEAALPVELPDVPDYSPVLFDPDDADSEPSPPLAKATEWVHVDLDLGDGLKPYSRDTNVMPQWAGSSWYELRYTDPHNSERFCAKENEAYWMGPRPAEHGPDDPGGVDLYVGGAEHAVLHLLYSRFWHKVLYDLGHVSSREPYRRLVNQGYIQAYAYTDARGSYVPAEQVIERGDRFVYPGPDGEVEVFQEFGKIGKSLKNSVSPDEICDAYGADTLRVYEMSMGPLEASRPWATKDVVGAYRFLQRVWRLVVDEHTGETRVADGVELDIDTLRALHRTIVGVSEDFAALRNNTATAKLIEYTNHLTKKHRDAVPRAAVEPLVQMLAPLAPHIAEELWLRLGNTTSLAHGPFPKADAAYLVDETVEYPVQVNGKVRGRVVVAADTDEETLKAAVLTDEKVQAFLAGATPRKVIVVAGRLVNLVI
  
Inhibitor
Name:
BDBM50241756
Synonyms:
CHEMBL4075879
Type:
Small organic molecule
Emp. Form.:
C10H13BBrNO3
Mol. Mass.:
285.93
SMILES:
CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r|
Structure:
Search PDB for entries with ligand similarity: