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Target
Pyruvate kinase
Ligand
BDBM50270338
Substrate
n/a
Meas. Tech.
ChEMBL_530311 (CHEMBL980373)
IC50
1200000±n/a nM
Citation
 Nowicki, MW; Tulloch, LB; Worralll, L; McNae, IW; Hannaert, V; Michels, PA; Fothergill-Gilmore, LA; Walkinshaw, MD; Turner, NJ Design, synthesis and trypanocidal activity of lead compounds based on inhibitors of parasite glycolysis. Bioorg Med Chem 16:5050-61 (2008) [PubMed]  Article 
Target
Name:
Pyruvate kinase
Synonyms:
KPYK_LEIME | PYK
Type:
PROTEIN
Mol. Mass.:
54404.51
Organism:
Leishmania mexicana
Description:
ChEMBL_530311
Residue:
499
Sequence:
MSQLAHNLTLSIFDPVANYRAARIICTIGPSTQSVEALKGLIQSGMSVARMNFSHGSHEYHQTTINNVRQAAAELGVNIAIALDTKGPEIRTGQFVGGDAVMERGATCYVTTDPAFADKGTKDKFYIDYQNLSKVVRPGNYIYIDDGILILQVQSHEDEQTLECTVTNSHTISDRRGVNLPGCDVDLPAVSAKDRVDLQFGVEQGVDMIFASFIRSAEQVGDVRKALGPKGRDIMIICKIENHQGVQNIDSIIEESDGIMVARGDLGVEIPAEKVVVAQKILISKCNVAGKPVICATQMLESMTYNPRPTRAEVSDVANAVFNGADCVMLSGETAKGKYPNEVVQYMARICLEAQSALNEYVFFNSIKKLQHIPMSADEAVCSSAVNSVYETKAKAMVVLSNTGRSARLVAKYRPNCPIVCVTTRLQTCRQLNITQGVESVFFDADKLGHDEGKEHRVAAGVEFAKSKGYVQTGDYCVVIHADHKVKGYANQTRILLVE
  
Inhibitor
Name:
BDBM50270338
Synonyms:
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-((1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl)-tetrahydrofuran-3,4-diol | CHEMBL479163
Type:
Small organic molecule
Emp. Form.:
C16H23NO4
Mol. Mass.:
293.3581
SMILES:
OC[C@H]1O[C@H](CNC2CCCc3ccccc23)[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: