Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18050
Substrate
n/a
Meas. Tech.
ChEMBL_54388 (CHEMBL666738)
IC50
9±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Effect of C9-methyl substitution and C8-C9 conformational restriction on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem 43:3125-33 (2000) [PubMed]
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:
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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