Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50290154
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1730616 (CHEMBL4146152)
IC50 30±n/a nM
Citation Yang, XWedajo, WYamada, YDahlroth, SLNeo, JJDick, TChui, WK 1,3,5-triazaspiro[5.5]undeca-2,4-dienes as selective Mycobacterium tuberculosis dihydrofolate reductase inhibitors with potent whole cell activity. Eur J Med Chem144:262-276 (2018) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:DYR_MYCTU | dfrA | folA
Type:PROTEIN
Mol. Mass.:17872.62
Organism:Mycobacterium tuberculosis
Description:ChEMBL_102873
Residue:161
Sequence:
MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLP
GRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIG
LPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50290154
n/a
NameBDBM50290154
Synonyms:CHEMBL3245817
TypeSmall organic molecule
Emp. Form.C24H30N8O5
Mol. Mass.510.5456
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OCC |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: