Reaction Details Report a problem with these data
Target
Pyruvate kinase PKM
Ligand
BDBM50455474
Substrate
n/a
Meas. Tech.
ChEMBL_1754505 (CHEMBL4189265)
Ki
50±n/a nM
Citation
 Li, J; Li, S; Guo, J; Li, Q; Long, J; Ma, C; Ding, Y; Yan, C; Li, L; Wu, Z; Zhu, H; Li, KK; Wen, L; Zhang, Q; Xue, Q; Zhao, C; Liu, N; Ivanov, I; Luo, M; Xi, R; Long, H; Wang, PG; Chen, Y Natural Product Micheliolide (MCL) Irreversibly Activates Pyruvate Kinase M2 and Suppresses Leukemia. J Med Chem 61:4155-4164 (2018) [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:
BDBM50455474
Synonyms:
CHEMBL4218770
Type:
Small organic molecule
Emp. Form.:
C39H58N6O9S
Mol. Mass.:
786.978
SMILES:
[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCn3cc(CCCC(=O)O[C@]4(C)CCC5=C(C)CC[C@@]6([H])C(=C)C(=O)O[C@]6([H])[C@@]45[H])nn3)[C@]1([H])NC(=O)N2 |r,c:36|
Structure:
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