Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM497336
Substrate
n/a
Meas. Tech.
TBD
IC50
1100±n/a nM
Citation
 Gangjee, A Pyrimidine compounds and pyrimido indole compounds and methods of use US Patent  US11001595 Publication Date 5/11/2021 
Target
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:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM497336
Synonyms:
US11001595, Compound 9 | US11111252, Compound 9
Type:
Small organic molecule
Emp. Form.:
C16H19N5O2S
Mol. Mass.:
345.419
SMILES:
COc1ccc(Sc2c(C)c3c(N)nc(N)nc3n2C)cc1OC
Structure:
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