Reaction Details Report a problem with these data
Target
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial
Ligand
BDBM50509353
Substrate
n/a
Meas. Tech.
ChEMBL_1838001 (CHEMBL4338134)
IC50
48±n/a nM
Citation
 Kawai, J; Toki, T; Ota, M; Inoue, H; Takata, Y; Asahi, T; Suzuki, M; Shimada, T; Ono, K; Suzuki, K; Takaishi, S; Ohki, H; Matsui, S; Tsutsumi, S; Hirota, Y; Nakayama, K Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem 62:10204-10220 (2019) [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:
BDBM50509353
Synonyms:
CHEMBL4546647
Type:
Small organic molecule
Emp. Form.:
C26H29ClN4O5S
Mol. Mass.:
545.05
SMILES:
CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: