Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50138163
Substrate
n/a
Meas. Tech.
ChEMBL_1549470 (CHEMBL3755621)
IC50
25875±n/a nM
Citation
 Lele, AC; Raju, A; Khambete, MP; Ray, MK; Rajan, MG; Arkile, MA; Jadhav, NJ; Sarkar, D; Degani, MS Design and Synthesis of a Focused Library of Diamino Triazines as Potential Mycobacterium tuberculosis DHFR Inhibitors. ACS Med Chem Lett 6:1140-4 (2015) [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:
BDBM50138163
Synonyms:
CHEMBL3752202
Type:
Small organic molecule
Emp. Form.:
C17H17N5O
Mol. Mass.:
307.3498
SMILES:
Cc1cccc(Oc2ccc(cc2)-c2nc(N)nc(N)n2)c1C
Structure:
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