Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50049596
Substrate
n/a
Meas. Tech.
ChEMBL_52843 (CHEMBL665047)
IC50
560.0±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:
BDBM50049596
Synonyms:
6-(4-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL23911
Type:
Small organic molecule
Emp. Form.:
C16H17N5OS
Mol. Mass.:
327.404
SMILES:
COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Structure:
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