Reaction Details Report a problem with these data
Target
Pyruvate kinase
Ligand
BDBM50270448
Substrate
n/a
Meas. Tech.
ChEMBL_530311 (CHEMBL980373)
IC50
53000±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:
BDBM50270448
Synonyms:
(2S,3S,4S,5R)-5-((cycloheptylamino)methyl)-3,4-dihydroxy-N-(3-nitrophenyl)-tetrahydrofuran-2-carboxamide | CHEMBL479209
Type:
Small organic molecule
Emp. Form.:
C19H27N3O6
Mol. Mass.:
393.4342
SMILES:
O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)Nc1cccc(c1)[N+]([O-])=O |r|