Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50049914
Substrate
n/a
Meas. Tech.
ChEMBL_54223 (CHEMBL668101)
Ki
0.23±n/a nM
Citation
 Kuyper, LF; Baccanari, DP; Jones, ML; Hunter, RN; Tansik, RL; Joyner, SS; Boytos, CM; Rudolph, SK; Knick, V; Wilson, HR; Caddell, JM; Friedman, HS; Comley, JC; Stables, JN High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size. J Med Chem 39:892-903 (1996) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DFR1 | DYR_CANAX | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
22141.77
Organism:
Candida albicans
Description:
C. albicans DHFR was expressed in E. coli BL21, and purified to homogeneity.
Residue:
192
Sequence:
MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK
  
Inhibitor
Name:
BDBM50049914
Synonyms:
7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine | CHEMBL353621 | TCMDC-137341
Type:
Small organic molecule
Emp. Form.:
C20H21N5O3
Mol. Mass.:
379.4124
SMILES:
COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC
Structure:
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