Reaction Details Report a problem with these data
Target
Phosphoglycerate mutase 1
Ligand
BDBM50266326
Substrate
n/a
Meas. Tech.
ChEMBL_2012780 (CHEMBL4666358)
IC50
2860±n/a nM
Citation
 Huang, K; Jiang, L; Liang, R; Li, H; Ruan, X; Shan, C; Ye, D; Zhou, L Synthesis and biological evaluation of anthraquinone derivatives as allosteric phosphoglycerate mutase 1 inhibitors for cancer treatment. Eur J Med Chem 168:45-57 (2019) [PubMed]  Article 
Target
Name:
Phosphoglycerate mutase 1
Synonyms:
BPG-dependent PGAM 1 | PGAM-B | PGAM1 | PGAM1_HUMAN | PGAMA | Phosphoglycerate mutase 1 | Phosphoglycerate mutase isozyme B
Type:
PROTEIN
Mol. Mass.:
28806.11
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109479
Residue:
254
Sequence:
MAAYKLVLIRHGESAWNLENRFSGWYDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQMWLPVVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDHPFYSNISKDRRYADLTEDQLPSCESLKDTIARALPFWNEEIVPQIKEGKRVLIAAHGNSLRGIVKHLEGLSEEAIMELNLPTGIPIVYELDKNLKPIKPMQFLGDEETVRKAMEAVAAQGKAKK
  
Inhibitor
Name:
BDBM50266326
Synonyms:
CHEMBL4782282
Type:
Small organic molecule
Emp. Form.:
C22H17NO8S
Mol. Mass.:
455.437
SMILES:
COc1ccc(c(OC)c1)S(=O)(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Structure:
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