Reaction Details Report a problem with these data
Target
Pyruvate kinase PKM
Ligand
BDBM50271056
Substrate
n/a
Meas. Tech.
ChEMBL_1709641 (CHEMBL4119690)
IC50
1740±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 PKM
Synonyms:
KPYM_HUMAN | OIP3 | PK2 | PK3 | PKM | PKM2 | Pyruvate kinase (PKM2)
Type:
Protein
Mol. Mass.:
57944.31
Organism:
Homo sapiens (Human)
Description:
P14618
Residue:
531
Sequence:
MSKPHSEAGTAFIQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAIYHLQLFEELRRLAPITSDPTEATAVGAVEASFKCCSGAIIVLTKSGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP
  
Inhibitor
Name:
BDBM50271056
Synonyms:
CHEMBL4127111
Type:
Small organic molecule
Emp. Form.:
C17H17NO2S2
Mol. Mass.:
331.452
SMILES:
O=C1C=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc12 |t:2|
Structure:
Search PDB for entries with ligand similarity: