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Target
Dihydrofolate reductase
Ligand
BDBM50066488
Substrate
n/a
Meas. Tech.
ChEMBL_54106 (CHEMBL668436)
IC50
1400±n/a nM
Citation
 Gangjee, A; Vidwans, AP; Vasudevan, A; Queener, SF; Kisliuk, RL; Cody, V; Li, R; Galitsky, N; Luft, JR; Pangborn, W Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J Med Chem 41:3426-34 (1998) [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:
BDBM50066488
Synonyms:
CHEMBL114833 | N*6*-(2,4,5-Trimethoxy-benzyl)-quinazoline-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C18H21N5O3
Mol. Mass.:
355.391
SMILES:
COc1cc(OC)c(OC)cc1CNc1ccc2nc(N)nc(N)c2c1
Structure:
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