Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50226275
Substrate
n/a
Meas. Tech.
ChEMBL_54888 (CHEMBL666942)
IC50
0.000±n/a nM
Citation
 Piper, JR; McCaleb, GS; Montgomery, JA; Kisliuk, RL; Gaumont, Y; Sirotnak, FM Syntheses and antifolate activity of 5-methyl-5-deaza analogues of aminopterin, methotrexate, folic acid, and N10-methylfolic acid. J Med Chem 29:1080-7 (1986) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_LACCA | dhfR | folA
Type:
PROTEIN
Mol. Mass.:
18437.08
Organism:
Lactobacillus casei
Description:
ChEMBL_1357878
Residue:
163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
  
Inhibitor
Name:
BDBM50226275
Synonyms:
CHEMBL267104
Type:
Small organic molecule
Emp. Form.:
C21H22N6O6
Mol. Mass.:
454.436
SMILES:
Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(O)c12
Structure:
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