Reaction Details Report a problem with these data
Target
D-3-phosphoglycerate dehydrogenase
Ligand
BDBM533622
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
<5000±n/a nM
Citation
 Sabatini, DM; Pacold, M; Boxer, MB; Rohde, JM; Brimacombe, KR; Shen, M; Bantukallu, G; Liu, L Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof US Patent  US11225469 Publication Date 1/18/2022 
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:
BDBM533622
Synonyms:
US11225469, Compound 117
Type:
Small organic molecule
Emp. Form.:
C17H19F3N6S
Mol. Mass.:
396.433
SMILES:
Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2nccc(n2)C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity: