Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18069
Substrate
n/a
Meas. Tech.
ChEMBL_52843 (CHEMBL665047)
IC50
12000±n/a nM
Citation
 Gangjee, A; Zhu, Y; Queener, SF; Francom, P; Broom, AD Nonclassical 2,4-diamino-8-deazafolate analogues as inhibitors of dihydrofolate reductases from rat liver, Pneumocystis carinii, and Toxoplasma gondii. J Med Chem 39:1836-45 (1996) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DFR1 | DYR_YEAST
Type:
PROTEIN
Mol. Mass.:
24263.24
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_52843
Residue:
211
Sequence:
MAGGKIPIVGIVACLQPEMGIGFRGGLPWRLPSEMKYFRQVTSLTKDPNKKNALIMGRKTWESIPPKFRPLPNRMNVIISRSFKDDFVHDKERSIVQSNSLANAIMNLESNFKEHLERIYVIGGGEVYSQIFSITDHWLITKINPLDKNATPAMDTFLDAKKLEEVFSEQDPAQLKEFLPPKVELPETDCDQRYSLEEKGYCFEFTLYNRK
  
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:
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