Reaction Details Report a problem with these data
Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM50580115
Substrate
n/a
Meas. Tech.
ChEMBL_2147064 (CHEMBL5031410)
IC50
910±n/a nM
Citation
 Lee, LC; Peng, YH; Chang, HH; Hsu, T; Lu, CT; Huang, CH; Hsueh, CC; Kung, FC; Kuo, CC; Jiaang, WT; Wu, SY Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2). J Med Chem 64:11288-11301 (2021) [PubMed]  Article 
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:
BDBM50580115
Synonyms:
CHEMBL5084848
Type:
Small organic molecule
Emp. Form.:
C25H22Cl2N6O7
Mol. Mass.:
589.384
SMILES:
Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r|
Structure:
Search PDB for entries with ligand similarity: