Reaction Details Report a problem with these data
Target
D-3-phosphoglycerate dehydrogenase
Ligand
BDBM549405
Substrate
n/a
Meas. Tech.
Fluorescence Intensity Assay (500 NAD)
IC50
8.00±n/a nM
Citation
 Weinstabl, H; Dahmann, G; Treu, M; Wellenzohn, B; Zahn, SK Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors US Patent  US11304929 Publication Date 4/19/2022 
Target
Name:
D-3-phosphoglycerate dehydrogenase
Synonyms:
D-3-phosphoglycerate dehydrogenase | PGDH3 | PHGDH | Phosphoglycerate dehydrogenase (PHGDH) | SERA_HUMAN
Type:
Protein
Mol. Mass.:
56650.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
533
Sequence:
MAFANLRKVLISDSLDPCCRKILQDGGLQVVEKQNLSKEELIAELQDCEGLIVRSATKVTADVINAAEKLQVVGRAGTGVDNVDLEAATRKGILVMNTPNGNSLSAAELTCGMIMCLARQIPQATASMKDGKWERKKFMGTELNGKTLGILGLGRIGREVATRMQSFGMKTIGYDPIISPEVSASFGVQQLPLEEIWPLCDFITVHTPLLPSTTGLLNDNTFAQCKKGVRVVNCARGGIVDEGALLRALQSGQCAGAALDVFTEEPPRDRALVDHENVISCPHLGASTKEAQSRCGEEIAVQFVDMVKGKSLTGVVNAQALTSAFSPHTKPWIGLAEALGTLMRAWAGSPKGTIQVITQGTSLKNAGNCLSPAVIVGLLKEASKQADVNLVNAKLLVKEAGLNVTTSHSPAAPGEQGFGECLLAVALAGAPYQAVGLVQGTTPVLQGLNGAVFRPEVPLRRDLPLLLFRTQTSDPAMLPTMIGLLAEAGVRLLSYQTSLVSDGETWHVMGISSLLPSLEAWKQHVTEAFQFHF
  
Inhibitor
Name:
BDBM549405
Synonyms:
2-{4-[(1R)-1-[(4,5-dichloro-1,6-dimethyl-1H-indol-2- yl)formamido]ethyl]benzenesulfinyl}acetic acid | US11304929, Example 12-008
Type:
Small organic molecule
Emp. Form.:
C21H20Cl2N2O4S
Mol. Mass.:
467.365
SMILES:
C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)CC(O)=O |r|
Structure:
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