Target
Dihydrofolate reductase
Ligand
BDBM50049905
Substrate
n/a
Meas. Tech.
ChEMBL_54223 (CHEMBL668101)
Ki
0.03±n/a nM
Citation
 Kuyper, LFBaccanari, DPJones, MLHunter, RNTansik, RLJoyner, SSBoytos, CMRudolph, SKKnick, VWilson, HRCaddell, JMFriedman, HSComley, JCStables, 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:
BDBM50049905
Synonyms:
7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine | CHEMBL170758 | TCMDC-137283
Type:
Small organic molecule
Emp. Form.:
C16H21N5
Mol. Mass.:
283.3714
SMILES:
CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Structure:
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