Reaction Details
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Target
Dihydrofolate reductase
Ligand
BDBM50041943
Substrate
n/a
Meas. Tech.
ChEMBL_53494 (CHEMBL665618)
IC50
70±n/a nM
Citation
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More Info.:
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:
BDBM50041943
Synonyms:
6-(2,5-Dimethoxy-benzyl)-5-methyl-thieno[2,3-d]pyrimidine-2,4-diamine | 6-(2,5-dimethoxybenzyl)-5-methylthieno[2,3-d]pyrimidine-2,4-diamine | CHEMBL104787
Type:
Small organic molecule
Emp. Form.:
C16H18N4O2S
Mol. Mass.:
330.405
SMILES:
COc1ccc(OC)c(Cc2sc3nc(N)nc(N)c3c2C)c1