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Target
Pyruvate kinase PKM
Ligand
BDBM50084980
Substrate
n/a
Meas. Tech.
ChEMBL_2224279 (CHEMBL5137792)
IC50
1160±n/a nM
Citation
 Arora, S; Joshi, G; Chaturvedi, A; Heuser, M; Patil, S; Kumar, R A Perspective on Medicinal Chemistry Approaches for Targeting Pyruvate Kinase M2. J Med Chem 65:1171-1205 (2022) [PubMed] 
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:
BDBM50084980
Synonyms:
(+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epicatechin | (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one | (2R,3R)-dihydroquercetin | (2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone | CHEMBL66 | L-Epicatechin
Type:
Small organic molecule
Emp. Form.:
C15H12O7
Mol. Mass.:
304.2516
SMILES:
OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Structure:
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