Target
Pyruvate kinase PKLR
Ligand
BDBM50029022
Substrate
n/a
Meas. Tech.
ChEMBL_1434808 (CHEMBL3384037)
IC50
18200±n/a nM
Citation
 Zoraghi, RCampbell, SKim, CDullaghan, EMBlair, LMGillard, RMReiner, NESperry, J Discovery of a 1,2-bis(3-indolyl)ethane that selectively inhibits the pyruvate kinase of methicillin-resistant Staphylococcus aureus over human isoforms. Bioorg Med Chem Lett 24:5059-62 (2014) [PubMed]  Article 
Target
Name:
Pyruvate kinase PKLR
Synonyms:
KPYR_HUMAN | PK1 | PK1 | PKL | PKLR | Pyruvate kinase 1 | Pyruvate kinase PKLR | Pyruvate kinase isozymes L/R | R-type/L-type pyruvate kinase | Red cell/liver pyruvate kinase
Type:
PROTEIN
Mol. Mass.:
61835.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103054
Residue:
574
Sequence:
MSIQENISSLQLRSWVSKSQRDLAKSILIGAPGGPAGYLRRASVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAIALDTKGPEIRTGILQGGPESEVELVKGSQVLVTVDPAFRTRGNANTVWVDYPNIVRVVPVGGRIYIDDGLISLVVQKIGPEGLVTQVENGGVLGSRKGVNLPGAQVDLPGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALGPEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCIMLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPTEVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQAARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS
  
Inhibitor
Name:
BDBM50029022
Synonyms:
CHEMBL3339205
Type:
Small organic molecule
Emp. Form.:
C18H15N3O2
Mol. Mass.:
305.3306
SMILES:
[O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
Structure:
Search PDB for entries with ligand similarity: