Ki Summary

Reaction Details

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Target

Dihydrofolate reductase

Ligand

BDBM50351174

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

4.5±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

BDBM50351174

n/a

Name

BDBM50351174

Synonyms:

CHEMBL1818128 | US8835445, 31

Type

Small organic molecule

Emp. Form.

C21H20N4O

Mol. Mass.

344.4097

SMILES

CCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C |(2,-3.46,;.66,-2.69,;-.67,-3.47,;-2,-2.7,;-3.33,-3.47,;-4.68,-2.7,;-4.67,-1.16,;-6,-.39,;-6,1.14,;-4.66,1.91,;-3.34,1.14,;-3.34,-.39,;-2.01,-1.16,;-.68,-.39,;.66,-1.17,;1.99,-.39,;3.33,-1.15,;4.66,-.38,;6,-1.14,;4.65,1.17,;3.32,1.93,;3.31,3.47,;1.99,1.16,;.66,1.92,;-.67,1.15,;-2.01,1.92,)|

Structure