Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50041939
Substrate
n/a
Meas. Tech.
ChEMBL_53494 (CHEMBL665618)
IC50
320±n/a nM
Citation
 Rosowsky, A; Mota, CE; Wright, JE; Freisheim, JH; Heusner, JJ; McCormack, JJ; Queener, SF 2,4-Diaminothieno[2,3-d]pyrimidine analogues of trimetrexate and piritrexim as potential inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase. J Med Chem 36:3103-12 (1993) [PubMed]
Target
Name:
Dihydrofolate reductase
Synonyms:
Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA
Type:
Enzyme
Mol. Mass.:
17991.61
Organism:
Escherichia coli
Description:
E. coli DHFR was expressed in BL21, and purified to homogeneity.
Residue:
159
Sequence:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
  
Inhibitor
Name:
BDBM50041939
Synonyms:
5-Methyl-6-(3,4,5-trimethoxy-phenyl)-thieno[2,3-d]pyrimidine-2,4-diamine | CHEMBL326200
Type:
Small organic molecule
Emp. Form.:
C16H18N4O3S
Mol. Mass.:
346.404
SMILES:
COc1cc(cc(OC)c1OC)-c1sc2nc(N)nc(N)c2c1C
Structure:
Search PDB for entries with ligand similarity: