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Target
Dihydrofolate reductase
Ligand
BDBM50035483
Substrate
n/a
Meas. Tech.
ChEMBL_666431 (CHEMBL1260235)
Ki
10.2±n/a nM
Citation
 Nzila, A; Rottmann, M; Chitnumsub, P; Kiara, SM; Kamchonwongpaisan, S; Maneeruttanarungroj, C; Taweechai, S; Yeung, BK; Goh, A; Lakshminarayana, SB; Zou, B; Wong, J; Ma, NL; Weaver, M; Keller, TH; Dartois, V; Wittlin, S; Brun, R; Yuthavong, Y; Diagana, TT Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate. Antimicrob Agents Chemother 54:2603-10 (2010) [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:
BDBM50035483
Synonyms:
5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine | 5-chloro-N6-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine | 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine | CHEMBL138060
Type:
Small organic molecule
Emp. Form.:
C17H18ClN5O2
Mol. Mass.:
359.81
SMILES:
COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1
Structure:
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