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Target
Dihydrofolate reductase type 1
Ligand
BDBM50405037
Substrate
n/a
Meas. Tech.
ChEMBL_54572 (CHEMBL664886)
Ki
871±n/a nM
Citation
 Coats, EA; Genther, CS; Selassie, CD; Strong, CD; Hansch, C Quantitative structure-activity relationship of antifolate inhibition of bacteria cell cultures resistant and sensitive to methotrexate. J Med Chem 28:1910-6 (1985) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase type 1
Synonyms:
DYR1_ECOLX | dhfrI
Type:
PROTEIN
Mol. Mass.:
17574.87
Organism:
Escherichia coli
Description:
ChEMBL_54248
Residue:
157
Sequence:
MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMGALPNRKYAVVTRSSFTSDNENVLIFPSIKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFPEIPSNFRPVFTQDFASNINYSYQIWQKG
  
Inhibitor
Name:
BDBM50405037
Synonyms:
CHEMBL33558
Type:
Small organic molecule
Emp. Form.:
C22H29N5O
Mol. Mass.:
379.4986
SMILES:
CC(C)(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23|
Structure:
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