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Target
D-3-phosphoglycerate dehydrogenase
Ligand
BDBM50271426
Substrate
n/a
Meas. Tech.
ChEMBL_1711161 (CHEMBL4121210)
IC50
8000±n/a nM
Citation
 Rohde, JM; Brimacombe, KR; Liu, L; Pacold, ME; Yasgar, A; Cheff, DM; Lee, TD; Rai, G; Baljinnyam, B; Li, Z; Simeonov, A; Hall, MD; Shen, M; Sabatini, DM; Boxer, MB Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors. Bioorg Med Chem 26:1727-1739 (2018) [PubMed]  Article 
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:
BDBM50271426
Synonyms:
CHEMBL4129099
Type:
Small organic molecule
Emp. Form.:
C21H25F3N4S
Mol. Mass.:
422.51
SMILES:
CC(N1CCN(CC1)C(=S)Nc1cc(C)cc(C)n1)c1ccc(cc1)C(F)(F)F
Structure:
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