Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081917
Substrate
n/a
Meas. Tech.
ChEMBL_54726 (CHEMBL668339)
Ki
138±n/a nM
Citation
 Selassie, CD; Li, RL; Poe, M; Hansch, C On the optimization of hydrophobic and hydrophilic substituent interactions of 2,4-diamino-5-(substituted-benzyl)pyrimidines with dihydrofolate reductase. J Med Chem 34:46-54 (1991) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
1.5.1.3 | Dihydrofolate reductase | folA | t0090
Type:
PROTEIN
Mol. Mass.:
17976.56
Organism:
Salmonella enterica subsp. enterica serovar Typhi
Description:
ChEMBL_13019
Residue:
159
Sequence:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRHTWESIGRPLPGRKNIIISSQPGTDDRVQWVKSVDEAIAACGDAPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
  
Inhibitor
Name:
BDBM50081917
Synonyms:
5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL31547
Type:
Small organic molecule
Emp. Form.:
C17H24N4O
Mol. Mass.:
300.3987
SMILES:
CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Structure:
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