Reaction Details 
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D-3-phosphoglycerate dehydrogenase
Ligand
BDBM50519113
Substrate
n/a
Meas. Tech.
ChEMBL_1873878 (CHEMBL4375167)
IC50
1400±n/a nM
Citation
Weinstabl, H; Treu, M; Rinnenthal, J; Zahn, SK; Ettmayer, P; Bader, G; Dahmann, G; Kessler, D; Rumpel, K; Mischerikow, N; Savarese, F; Gerstberger, T; Mayer, M; Zoephel, A; Schnitzer, R; Sommergruber, W; Martinelli, P; Arnhof, H; Peric-Simov, B; Hofbauer, KS; Garavel, G; Scherbantin, Y; Mitzner, S; Fett, TN; Scholz, G; Bruchhaus, J; Burkard, M; Kousek, R; Ciftci, T; Sharps, B; Schrenk, A; Harrer, C; Haering, D; Wolkerstorfer, B; Zhang, X; Lv, X; Du, A; Li, D; Li, Y; Quant, J; Pearson, M; McConnell, DB Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor J Med Chem 62:7976-7997 (2019) [PubMed] ArticleMore Info.:
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:
BDBM50519113
Synonyms:
CHEMBL4521090
Type:
Small organic molecule
Emp. Form.:
C22H24N4O5S
Mol. Mass.:
456.515
SMILES:
C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)N(CC(O)=O)S(C)(=O)=O |r|
Structure:
