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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50320794
Substrate
n/a
Meas. Tech.
ChEMBL_639165 (CHEMBL1167426)
IC50
57.5±n/a nM
Citation
 Schormann, N; Velu, SE; Murugesan, S; Senkovich, O; Walker, K; Chenna, BC; Shinkre, B; Desai, A; Chattopadhyay, D Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase. Bioorg Med Chem 18:4056-66 (2010) [PubMed]  Article 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
DRTS_TRYCR
Type:
PROTEIN
Mol. Mass.:
58857.11
Organism:
Trypanosoma cruzi
Description:
ChEMBL_639165
Residue:
521
Sequence:
MSLFKIRMPETVAEGTRLALRAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLSSTLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIREGNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFLRGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHFGAAYTHHDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMALPPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYEEGDMEVIDYAPYPPISMKMAV
  
Inhibitor
Name:
BDBM50320794
Synonyms:
CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)methyl]benzene carboxylate
Type:
Small organic molecule
Emp. Form.:
C25H25N5O4
Mol. Mass.:
459.4971
SMILES:
COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1
Structure:
Search PDB for entries with ligand similarity: