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Target
Dihydrofolate reductase
Ligand
BDBM50128530
Substrate
n/a
Meas. Tech.
ChEMBL_53964 (CHEMBL669450)
IC50
670.0±n/a nM
Citation
 Wyss, PC; Gerber, P; Hartman, PG; Hubschwerlen, C; Locher, H; Marty, HP; Stahl, M Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening. J Med Chem 46:2304-12 (2003) [PubMed]  Article 
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:
BDBM50128530
Synonyms:
5-(6,7-Dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL74781
Type:
Small organic molecule
Emp. Form.:
C17H23N5O2
Mol. Mass.:
329.3968
SMILES:
COc1cc2CCN(Cc3cnc(N)nc3N)C(C)c2cc1OC
Structure:
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