Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Dihydrofolate reductase
Ligand
BDBM18069
Substrate
n/a
Meas. Tech.
ChEMBL_55072 (CHEMBL858271)
Ki
132±n/a nM
Citation
Hansch, C; Li, R; Blaney, JM; Langridge, R Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structure-activity analysis. J Med Chem 25:777-84 (1982) [PubMed] Article More Info.:
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:
BDBM18069
Synonyms:
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP) | US10870625, Compound TMP
Type:
Small organic molecule
Emp. Form.:
C14H18N4O3
Mol. Mass.:
290.3177
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Structure:
