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Target
Dihydrofolate reductase
Ligand
BDBM50120978
Substrate
n/a
Meas. Tech.
ChEMBL_54739 (CHEMBL667190)
IC50
3000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Synthesis of classical and nonclassical, partially restricted, linear, tricyclic 5-deaza antifolates. J Med Chem 45:5173-81 (2002) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (F31V) | dfrA17
Type:
n/a
Mol. Mass.:
17532.46
Organism:
Escherichia coli
Description:
n/a
Residue:
157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYAVVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHVEVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
  
Inhibitor
Name:
BDBM50120978
Synonyms:
6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-1,3,6,9-tetraaza-anthracene-2,4-diamine | CHEMBL439816
Type:
Small organic molecule
Emp. Form.:
C17H16Cl2N6
Mol. Mass.:
375.255
SMILES:
Nc1nc(N)c2cc3CN(Cc4ccc(Cl)c(Cl)c4)CCc3nc2n1
Structure:
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