Reaction Details Report a problem with these data
Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM581300
Substrate
n/a
Meas. Tech.
Inhibition of MTHFD2
IC50
3.00±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:
BDBM581300
Synonyms:
(2S)-2-[(6-cyclopropoxy-5-{[(2,4- diamino-6-oxo-1,6- dihydropyrimidin-5- yl)carbamoyl]amino}pyridin-2- yl)formamido]pentanedioic acid | US11504368, Example 18
Type:
Small organic molecule
Emp. Form.:
C19H22N8O8
Mol. Mass.:
490.4268
SMILES:
Nc1nc(N)c(NC(=O)Nc2ccc(nc2OC2CC2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: