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Target
D-3-phosphoglycerate dehydrogenase
Ligand
BDBM58473
Substrate
n/a
Meas. Tech.
PHGDH Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1.53e+4±n/a nM
Comments
extracted
Citation
 Pacold, ME; Brimacombe, KR; Chan, SH; Rohde, JM; Lewis, CA; Swier, LJ; Possemato, R; Chen, WW; Sullivan, LB; Fiske, BP; Cho, S; Freinkman, E; Birsoy, K; Abu-Remaileh, M; Shaul, YD; Liu, CM; Zhou, M; Koh, MJ; Chung, H; Davidson, SM; Luengo, A; Wang, AQ; Xu, X; Yasgar, A; Liu, L; Rai, G; Westover, KD; Vander Heiden, MG; Shen, M; Gray, NS; Boxer, MB; Sabatini, DM A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate. Nat Chem Biol 12:452-8 (2016) [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:
BDBM58473
Synonyms:
MLS001172437 | N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide | N-(4-methyl-2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide | N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide | PHGDH-hit | SMR000590434 | US11225469, Compound 63 | cid_4566836
Type:
Small organic molecule
Emp. Form.:
C18H19F3N4S
Mol. Mass.:
380.43
SMILES:
Cc1ccnc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity: