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Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM581310
Substrate
n/a
Meas. Tech.
Inhibition of MTHFD2
IC50
92.0±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:
BDBM581310
Synonyms:
(2S)-2-[(4S)-4-carboxy-4-({5-[2- (2,4-diamino-6-oxo-1,6- dihydropyrimidin-5- yl)acetamido]pyridin-2- yl}formamido)butanamido]- pentanedioic acid | US11504368, Example 28
Type:
Small organic molecule
Emp. Form.:
C22H26N8O10
Mol. Mass.:
562.4894
SMILES:
Nc1nc(N)c(CC(=O)Nc2ccc(nc2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c(=O)[nH]1 |r|
Structure:
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