Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50544185
Substrate
n/a
Meas. Tech.
ChEMBL_1991863 (CHEMBL4625598)
IC50
>500000±n/a nM
Citation
 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors. Bioorg Med Chem 28:0 (2020) [PubMed]  Article
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_MYCTU | dfrA | folA
Type:
PROTEIN
Mol. Mass.:
17872.62
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_102873
Residue:
161
Sequence:
MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS
  
Inhibitor
Name:
BDBM50544185
Synonyms:
CHEMBL4638943
Type:
Small organic molecule
Emp. Form.:
C15H14O3
Mol. Mass.:
242.2699
SMILES:
COC(=O)c1cccc(OCc2ccccc2)c1
Structure:
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