Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50461737
Substrate
n/a
Meas. Tech.
TBD
IC50
160±n/a nM
Citation
 Gangjee, A Pyrimidine compounds and pyrimido indole compounds and methods of use US Patent  US11001595 Publication Date 5/11/2021 
Target
Name:
Dihydrofolate reductase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
23415.37
Organism:
Human pneumocystis pneumonia agent
Description:
A0A0W4ZHR8
Residue:
206
Sequence:
MDWQKSLTLIVALTLSRGIGLKNDLPWKLKSDMMFFSRVTSGLLVTRSTGQMNVVLMGRKTWESLPAHSRPLKNRINVVISRQEVLDLGGGAYHARSLDDALALLSQIYDSTSKIQLNRVFVIGGGELYKAAMEHSRLNRIIATVIHNEVDCDVFFPIDFRSSQSCLPWRKQDHSVLEAWVGSKVPQGKINENGFIYEFEMWIRDI
  
Inhibitor
Name:
BDBM50461737
Synonyms:
CHEMBL4227977 | US11001595, Compound 7 | US11111252, Compound 7
Type:
Small organic molecule
Emp. Form.:
C15H17N5OS
Mol. Mass.:
315.393
SMILES:
COc1cccc(Sc2c(C)c3c(N)nc(N)nc3n2C)c1
Structure:
Search PDB for entries with ligand similarity: