Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18050
Substrate
n/a
Meas. Tech.
ChEMBL_1549470 (CHEMBL3755621)
IC50
8.3±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:
BDBM18050
Synonyms:
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941
Type:
Small organic molecule
Emp. Form.:
C20H22N8O5
Mol. Mass.:
454.4393
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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