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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50320792
Substrate
n/a
Meas. Tech.
ChEMBL_639165 (CHEMBL1167426)
IC50
23.8±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:
BDBM50320792
Synonyms:
CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)butanoate | ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate
Type:
Small organic molecule
Emp. Form.:
C22H27N5O4
Mol. Mass.:
425.4809
SMILES:
CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Structure:
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