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Target
Pyruvate kinase PKLR
Ligand
BDBM50271046
Substrate
n/a
Meas. Tech.
ChEMBL_1709644 (CHEMBL4119693)
IC50
3800±n/a nM
Citation
 Ning, X; Qi, H; Li, R; Li, Y; Jin, Y; McNutt, MA; Liu, J; Yin, Y Discovery of novel naphthoquinone derivatives as inhibitors of the tumor cell specific M2 isoform of pyruvate kinase. Eur J Med Chem 138:343-352 (2017) [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:
BDBM50271046
Synonyms:
CHEMBL4127005
Type:
Small organic molecule
Emp. Form.:
C22H20N2O2S2
Mol. Mass.:
408.536
SMILES:
O=C1C=C(CSC(=S)N2CCN(CC2)c2ccccc2)C(=O)c2ccccc12 |t:2|
Structure:
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