Reaction Details Report a problem with these data
Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM581316
Substrate
n/a
Meas. Tech.
Inhibition of MTHFD2
IC50
60.0±n/a nM
Citation
 Bengtsson, C; Borhade, S; Haraldsson, M; Helleday, T; Henriksson, M; Homan, E; Paulin, C; Sandberg, L; Scobie, M; Stenmark, P; Vallin, K 2,6-diamino-3,4-dihydropyrimidin-4-one derivatives and use thereof in therapy US Patent  US11504368 Publication Date 11/22/2022 
Target
Name:
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Synonyms:
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial | MTDC_HUMAN | MTHFD2 | Methenyltetrahydrofolate cyclohydrolase | NAD-dependent methylenetetrahydrofolate dehydrogenase | NMDMC
Type:
PROTEIN
Mol. Mass.:
37904.22
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109900
Residue:
350
Sequence:
MAATSLMSALAARLLQPAHSCSLRLRPFHLAAVRNEAVVISGRKLAQQIKQEVRQEVEEWVASGNKRPHLSVILVGENPASHSYVLNKTRAAAVVGINSETIMKPASISEEELLNLINKLNNDDNVDGLLVQLPLPEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGVWEIIKRTGIPTLGKNVVVAGRSKNVGMPIAMLLHTDGAHERPGGDATVTISHRYTPKEQLKKHTILADIVISAAGIPNLITADMIKEGAAVIDVGINRVHDPVTAKPKLVGDVDFEGVRQKAGYITPVPGGVGPMTVAMLMKNTIIAAKKVLRLEEREVLKSKELGVATN
  
Inhibitor
Name:
BDBM581316
Synonyms:
(2S)-2-({5-[2-(2,4-diamino-6-oxo- 1,6-dihydropyrimidin-5- yl)acetamido]-3-fluoropyridin-2- yl}formamido)-3-methylbutanoic acid | US11504368, Example 34
Type:
Small organic molecule
Emp. Form.:
C17H20FN7O5
Mol. Mass.:
421.383
SMILES:
CC(C)[C@H](NC(=O)c1ncc(NC(=O)Cc2c(N)nc(N)[nH]c2=O)cc1F)C(O)=O |r|
Structure:
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