Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
LigandBDBM18069
Substrate/Competitorn/a
Meas. Tech.ChEMBL_379667
IC50 10±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-Thymidylate Synthase (DHFR-TS) Mutant KICB1
Name:Dihydrofolate reductase
Synonyms:DHFR-TS | Dihydrofolate reductase | PfDHFR-TS double mutant (C59R+S108N)
Type:Enzyme
Mol. Mass.:71822.51
Organism:Plasmodium falciparum (isolate K1 / Thailand)
Description:The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli.
Residue:608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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