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Target
Dihydrofolate reductase
Ligand
BDBM18262
Substrate
n/a
Meas. Tech.
ChEMBL_1771933 (CHEMBL4224045)
IC50
101±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:
BDBM18262
Synonyms:
5-methyl-6-(naphthalen-2-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Pyrrolo[2, 3-d]pyrimidine analogue, 1b
Type:
Small organic molecule
Emp. Form.:
C17H15N5S
Mol. Mass.:
321.4
SMILES:
Cc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12
Structure:
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