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TargetDihydrofolate Reductase (DHFR)
LigandBDBM18069
Substrate/Competitorn/a
Meas. Tech.ChEMBL_379666
IC50 14000±n/a nM
Citation Popov, VMChan, DCFillingham, YAAtom Yee, WWright, DLAnderson, AC Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivative. Bioorg Med Chem Lett16:4366-70 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate Reductase (DHFR)
Name:Dihydrofolate Reductase (DHFR)
Synonyms:ChDHFR-TS
Type:Enzyme
Mol. Mass.:60186.98
Organism:Cryptosporidium hominis
Description:ChDHFR-TS was expressed in E. coli and purified using a methotrexate agarose column.
Residue:521
Sequence:
MSEKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWD
SIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYR
DALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQEK
KTLQNCDPARGQLKSIDDTVDLLGEIFGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQY
LDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIK
GDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREENDLGPIYGFQWRHYNGEYKTMHDDY
TGVGVDQLAKLIETLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTNDNCLSCNL
YQRSCDLGLGSPFNIASYAILTMMLAQVCGYEPGELAIFIGDAHIYENHLTQLKEQLSRT
PRPFPQLKFKRKVENIEDFKWEDIELIGYYPYPTIKMDMAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18069
NameBDBM18069
Synonyms:5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP)
TypeSmall organic molecule
Emp. Form.C14H18N4O3
Mol. Mass.290.3177
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a