Reaction Details Report a problem with these data
Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM50580113
Substrate
n/a
Meas. Tech.
ChEMBL_2147064 (CHEMBL5031410)
IC50
690±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:
BDBM50580113
Synonyms:
CHEMBL5090659
Type:
Small organic molecule
Emp. Form.:
C24H23ClN8O4
Mol. Mass.:
522.944
SMILES:
Cc1cc(Nc2nc3n(C)c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)c3n2C)nc(CCC(O)=O)n1
Structure:
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