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Target
Dihydrofolate reductase
Ligand
BDBM50537326
Substrate
n/a
Meas. Tech.
ChEMBL_1936077 (CHEMBL4481836)
IC50
6790±n/a nM
Citation
 Sharma, K; Tanwar, O; Deora, GS; Ali, S; Alam, MM; Zaman, MS; Krishna, VS; Sriram, D; Akhter, M Expansion of a novel lead targeting M. tuberculosis DHFR as antitubercular agents. Bioorg Med Chem 27:1421-1429 (2019) [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:
BDBM50537326
Synonyms:
CHEMBL4544311
Type:
Small organic molecule
Emp. Form.:
C27H23BrN4O2
Mol. Mass.:
515.401
SMILES:
CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCc3cn(nn3)-c3ccc(Br)cc3)cc12
Structure:
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