Target
Dihydrofolate reductase
Ligand
BDBM50016798
Substrate
n/a
Meas. Tech.
ChEMBL_1357878 (CHEMBL3285765)
IC50
4500±n/a nM
Citation
 Chaykovsky, MHirst, MLazarus, HMartinelli, JE Methotrexate analogues. 9. Synthesis and biological properties of some 8-alkyl-7,8-dihydro analogues. J Med Chem 20:1323-7 (1977) [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:
BDBM50016798
Synonyms:
CHEMBL3273854
Type:
Small organic molecule
Emp. Form.:
C31H32N8O5
Mol. Mass.:
596.6364
SMILES:
CN(CC1=Nc2c(N)nc(N)nc2N(Cc2cccc3ccccc23)C1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r,t:3|
Structure:
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