Ki Summary

Reaction Details

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Target

Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial

Ligand

BDBM50580112

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2147064 (CHEMBL5031410)

IC50

4000±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 Chem64:11288-11301 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial

Name:

Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial

Synonyms:

Type:

PROTEIN

Mol. Mass.:

37904.22

Organism:

Homo sapiens (Human)

Description:

ChEMBL_109900

Residue:

350

Sequence:

MAATSLMSALAARLLQPAHSCSLRLRPFHLAAVRNEAVVISGRKLAQQIKQEVRQEVEEW
VASGNKRPHLSVILVGENPASHSYVLNKTRAAAVVGINSETIMKPASISEEELLNLINKL
NNDDNVDGLLVQLPLPEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGV
WEIIKRTGIPTLGKNVVVAGRSKNVGMPIAMLLHTDGAHERPGGDATVTISHRYTPKEQL
KKHTILADIVISAAGIPNLITADMIKEGAAVIDVGINRVHDPVTAKPKLVGDVDFEGVRQ
KAGYITPVPGGVGPMTVAMLMKNTIIAAKKVLRLEEREVLKSKELGVATN

BDBM50580112

n/a

Name

BDBM50580112

Synonyms:

CHEMBL5077748

Type

Small organic molecule

Emp. Form.

C20H23Cl2N5O3

Mol. Mass.

452.334

SMILES

Cn1c(N[C@H]2CC[C@H](O)CC2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r,wU:4.3,wD:7.7,(14.78,-9.97,;14.31,-8.5,;15.22,-7.26,;16.76,-7.27,;17.54,-5.94,;16.78,-4.61,;17.56,-3.28,;19.1,-3.29,;19.89,-1.97,;19.86,-4.63,;19.08,-5.95,;14.32,-6,;12.85,-6.47,;11.52,-5.7,;11.52,-4.16,;10.18,-6.47,;8.84,-5.7,;10.18,-8.01,;8.85,-8.78,;7.52,-8.01,;7.51,-6.46,;6.18,-5.7,;4.85,-6.47,;3.52,-5.7,;4.85,-8.01,;3.51,-8.78,;6.18,-8.78,;11.52,-8.78,;11.52,-10.32,;12.84,-8.02,)|

Structure