Reaction Details Report a problem with these data
Target
D-3-phosphoglycerate dehydrogenase
Ligand
BDBM50230352
Substrate
n/a
Meas. Tech.
ChEMBL_1644837 (CHEMBL3993766)
Ki
27000±n/a nM
Citation
 Ravez, S; Corbet, C; Spillier, Q; Dutu, A; Robin, AD; Mullarky, E; Cantley, LC; Feron, O; Frédérick, R a-Ketothioamide Derivatives: A Promising Tool to Interrogate Phosphoglycerate Dehydrogenase (PHGDH). J Med Chem 60:1591-1597 (2017) [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:
BDBM50230352
Synonyms:
CHEMBL4086943
Type:
Small organic molecule
Emp. Form.:
C12H13NO2S
Mol. Mass.:
235.302
SMILES:
O=C(C(=S)N1CCOCC1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: