Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18043
Substrate
n/a
Meas. Tech.
ChEMBL_54223 (CHEMBL668101)
Ki
0.22±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
More Info.:
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:
BDBM18043
Synonyms:
1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE | 5-(pentan-3-yl)-5,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene-11,13-diamine | CHEMBL318721 | GW345
Type:
Small organic molecule
Emp. Form.:
C15H19N5
Mol. Mass.:
269.3449
SMILES:
CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21