Reaction Details Report a problem with these data
Target
Pyruvate kinase
Ligand
BDBM50270341
Substrate
n/a
Meas. Tech.
ChEMBL_530311 (CHEMBL980373)
IC50
900000±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
More Info.:
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:
BDBM50270341
Synonyms:
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((R)-1-(4-methoxyphenyl)ethylamino)methyl)-tetrahydrofuran-3,4-diol | CHEMBL478291
Type:
Small organic molecule
Emp. Form.:
C15H23NO5
Mol. Mass.:
297.3468
SMILES:
COc1ccc(cc1)[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|