Ki Summary

Reaction Details

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Target

Dihydrofolate reductase

Ligand

BDBM50448745

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

2.9±n/a nM

Citation

Chen, Z; Creighton, CJ; Cunningham, M; Finn, J; Hilgers, M; Jung, M; Kohnen, LA; Lam, T; Li, X; Stidham, M; Tari, L; Trzoss, M; Zhang, J Dihydrofolate reductase inhibitors US Patent US8835445 Publication Date 9/16/2014

More Info.:

Get all data from this article, Assay Method

Dihydrofolate reductase

Name:

Dihydrofolate reductase

Synonyms:

DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase

Type:

Enzyme

Mol. Mass.:

21453.99

Organism:

Homo sapiens (Human)

Description:

Recombinant human DHFR.

Residue:

187

Sequence:

MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND

BDBM50448745

n/a

Name

BDBM50448745

Synonyms:

CHEMBL3128013 | US8835445, 26

Type

Small organic molecule

Emp. Form.

C21H19N7S

Mol. Mass.

401.487

SMILES

Cc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3C)c2cc1C |(2.23,-13.87,;2.71,-12.41,;1.68,-11.26,;2.16,-9.8,;1.4,-8.48,;2.43,-7.33,;2.11,-5.82,;3.16,-4.67,;2.39,-3.33,;.87,-3.65,;.71,-5.19,;3.83,-7.96,;5.17,-7.2,;6.5,-7.97,;7.83,-7.19,;9.17,-7.96,;10.5,-7.18,;11.84,-7.95,;10.5,-5.63,;9.16,-4.87,;9.15,-3.33,;7.83,-5.65,;6.5,-4.88,;5.17,-5.65,;4.4,-4.32,;3.67,-9.49,;4.69,-10.63,;4.22,-12.09,;5.25,-13.24,)|

Structure