Reaction Details Report a problem with these data
Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM581317
Substrate
n/a
Meas. Tech.
Inhibition of MTHFD2
IC50
5.00±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:
BDBM581317
Synonyms:
(2S)-2-[(5-{[(2,4-diamino-6-oxo- 1,6-dihydropyrimidin-5- yl)carbamoyl]amino}-3- fluoropyridin-2-yl)formamido]-3- phenylpropanoic acid | US11504368, Example 35
Type:
Small organic molecule
Emp. Form.:
C20H19FN8O5
Mol. Mass.:
470.4139
SMILES:
Nc1nc(N)c(NC(=O)Nc2cnc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(F)c2)c(=O)[nH]1 |r|
Structure:
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