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Target
Dihydrofolate reductase
Ligand
BDBM18043
Substrate
n/a
Meas. Tech.
ChEMBL_54280 (CHEMBL669873)
Ki
4.5±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:
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:
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
Structure:
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