Reaction Details
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D-3-phosphoglycerate dehydrogenase
Ligand
BDBM209928
Substrate
n/a
Meas. Tech.
PHGDH Enzyme Assay
pH
7.1±n/a
IC50
4.95e+4± 6.1e+3 nM
Comments
extracted
Citation
Wang, Q; Liberti, MV; Liu, P; Deng, X; Liu, Y; Locasale, JW; Lai, L Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity. Cell Chem Biol 24:55-65 (2017) [PubMed] Article More 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:
BDBM209928
Synonyms:
PKUMDL-WQ-2101-Biotin
Type:
Small organic molecule
Emp. Form.:
C25H27N5O9S
Mol. Mass.:
573.575
SMILES:
Oc1ccc(C(=O)N\N=C\c2cc(cc(COC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2O)[N+]([O-])=O)c(O)c1 |r|
Structure:
