Reaction Details Report a problem with these data
Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50421660
Substrate
n/a
Meas. Tech.
ChEMBL_55257 (CHEMBL667608)
IC50
1500±n/a nM
Citation
 Roth, B; Aig, E; Lane, K; Rauckman, BS 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 4. 6-Substituted trimethoprim derivatives from phenolic Mannich intermediates. Application to the synthesis of trimethoprim and 3,5-dialkylbenzyl analogues. J Med Chem 23:535-41 (1980) [PubMed]  Article 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
DHFR-TS | DRTS_PLABA | Dihydrofolate reductase
Type:
PROTEIN
Mol. Mass.:
68941.24
Organism:
Plasmodium berghei (strain Anka)
Description:
ChEMBL_55262
Residue:
587
Sequence:
MEDLSETFDIYAICACCKVLNDDEKVRCFNNKTFKGIGNAGVLPWKCNLIDMKYFSSVTSYINENNYIRLKWKRDKYMEKHNLKNNVELNTNIISSTNNLQNIVVMGKKSWESIPKKFKPLQNRINIILSRTLKKEDIVNENNNENNNVIIIKSVDDLFPILKCTKYYKCFIIGGSSVYKEFLDRNLIKKIYFTRINNSYNCDVLFPEINENLFKITSISDVYYSNNTTLDFIIYSKTKEINPNEEVPNNTFLGVCDEQNKAFDDEDDYTYFSFNKNKENIKKNSEHAHNFKIYNSIKYKNHPEYQYLNIIYDIIMHGNKQDDRTGVGVLSKFGYMMKFNLNEYFPLLTTKKLFIRGIIEELLWFIRGETNGNTLLEKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTDMHDNYKDKGVDQLKNIINLIKNDPTCRRIILCAWNVKNLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTYMIAQVCNLQAAEFIHVLGNAHVYNNHIESLKIQLNRTPYPFPTLKLNPDIKNIEDFTISDFTVQNYVHHDKINMDMAA
  
Inhibitor
Name:
BDBM50421660
Synonyms:
CHEMBL149353
Type:
Small organic molecule
Emp. Form.:
C16H22N4O3
Mol. Mass.:
318.3709
SMILES:
CCCc1nc(N)nc(N)c1Cc1cc(OC)c(O)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: