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Target
Dihydrofolate reductase
Ligand
BDBM50405052
Substrate
n/a
Meas. Tech.
ChEBML_55071
Ki
2818±n/a nM
Citation
 Hansch, C; Hathaway, BA; Guo, ZR; Selassie, CD; Dietrich, SW; Blaney, JM; Langridge, R; Volz, KW; Kaufman, BT Crystallography, quantitative structure-activity relationships, and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazine s. J Med Chem 27:129-43 (1984) [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:
BDBM50405052
Synonyms:
CHEMBL283916
Type:
Small organic molecule
Emp. Form.:
C19H23N5S
Mol. Mass.:
353.484
SMILES:
Cc1cccc(SCc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20|
Structure:
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