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Target
Trehalose-binding lipoprotein LpqY
Ligand
BDBM50235450
Substrate
n/a
Meas. Tech.
ChEMBL_2195066 (CHEMBL5107426)
Kd
36100±n/a nM
Citation
 Radhakrishnan, A; Brown, CM; Guy, CS; Cooper, C; Pacheco-Gomez, R; Stansfeld, PJ; Fullam, E Interrogation of the Pathogen Box reveals small molecule ligands against the mycobacterial trehalose transporter LpqY-SugABC. RSC Med Chem 13:1225-1233 (2022) [PubMed] 
Target
Name:
Trehalose-binding lipoprotein LpqY
Synonyms:
LPQY_MYCTU | SugABC transporter SBP LpqY | SugABC transporter substrate-binding protein LpqY | lpqY
Type:
PROTEIN
Mol. Mass.:
49788.31
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_120769
Residue:
468
Sequence:
MVMSRGRIPRLGAAVLVALTTAAAACGADSQGLVVSFYTPATDGATFTAIAQRCNQQFGGRFTIAQVSLPRSPNEQRLQLARRLTGNDRTLDVMALDVVWTAEFAEAGWALPLSDDPAGLAENDAVADTLPGPLATAGWNHKLYAAPVTTNTQLLWYRPDLVNSPPTDWNAMIAEAARLHAAGEPSWIAVQANQGEGLVVWFNTLLVSAGGSVLSEDGRHVTLTDTPAHRAATVSALQILKSVATTPGADPSITRTEEGSARLAFEQGKAALEVNWPFVFASMLENAVKGGVPFLPLNRIPQLAGSINDIGTFTPSDEQFRIAYDASQQVFGFAPYPAVAPGQPAKVTIGGLNLAVAKTTRHRAEAFEAVRCLRDQHNQRYVSLEGGLPAVRASLYSDPQFQAKYPMHAIIRQQLTDAAVRPATPVYQALSIRLAAVLSPITEIDPESTADELAAQAQKAIDGMGLLP
  
Inhibitor
Name:
BDBM50235450
Synonyms:
CHEBI:16551 | TREHALOSE
Type:
Small organic molecule
Emp. Form.:
C12H22O11
Mol. Mass.:
342.2965
SMILES:
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Structure:
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