Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50049599
Substrate
n/a
Meas. Tech.
ChEMBL_52843 (CHEMBL665047)
IC50
220±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:
BDBM50049599
Synonyms:
1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-phenyl}-ethanone | CHEMBL52953
Type:
Small organic molecule
Emp. Form.:
C19H18N6O
Mol. Mass.:
346.3858
SMILES:
CC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)nc(N)c2n1
Structure:
Search PDB for entries with ligand similarity: