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Target
Pyruvate kinase PKLR
Ligand
BDBM50596759
Substrate
n/a
Meas. Tech.
ChEMBL_2222229 (CHEMBL5135563)
IC50
700±n/a nM
Citation
 Nain-Perez, A; Foller Füchtbauer, A; Hĺversen, L; Lulla, A; Gao, C; Matic, J; Monjas, L; Rodríguez, A; Brear, P; Kim, W; Hyvönen, M; Borén, J; Mardinoglu, A; Uhlen, M; Grřtli, M Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur J Med Chem 234:0 (2022) [PubMed] 
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:
BDBM50596759
Synonyms:
CHEMBL5188496
Type:
Small organic molecule
Emp. Form.:
C20H17N3O10S
Mol. Mass.:
491.428
SMILES:
OC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Structure:
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