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Target
Dihydrofolate reductase
Ligand
BDBM50461743
Substrate
n/a
Meas. Tech.
ChEMBL_1771933 (CHEMBL4224045)
IC50
110±n/a nM
Citation
 Shah, K; Lin, X; Queener, SF; Cody, V; Pace, J; Gangjee, A Targeting species specific amino acid residues: Design, synthesis and biological evaluation of 6-substituted pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors and potential anti-opportunistic infection agents. Bioorg Med Chem 26:2640-2650 (2018) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
1.5.1.3 | DHFR
Type:
PROTEIN
Mol. Mass.:
23415.37
Organism:
Pneumocystis jirovecii
Description:
ChEMBL_178
Residue:
206
Sequence:
MDWQKSLTLIVALTLSRGIGLKNDLPWKLKSDMMFFSRVTSGLLVTRSTGQMNVVLMGRKTWESLPAHSRPLKNRINVVISRQEVLDLGGGAYHARSLDDALALLSQIYDSTSKIQLNRVFVIGGGELYKAAMEHSRLNRIIATVIHNEVDCDVFFPIDFRSSQSCLPWRKQDHSVLEAWVGSKVPQGKINENGFIYEFEMWIRDI
  
Inhibitor
Name:
BDBM50461743
Synonyms:
CHEMBL4225860
Type:
Small organic molecule
Emp. Form.:
C15H14F3N5OS
Mol. Mass.:
369.365
SMILES:
Cc1c(Sc2ccc(OC(F)(F)F)cc2)n(C)c2nc(N)nc(N)c12
Structure:
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