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TargetDihydrofolate reductase
LigandBDBM18771
Substrate/CompetitorBDBM18044
Meas. Tech.Dihydrofolate Reductase (DHFR) Assay
pH7.4±n/a
Temperature303.15±n/a K
IC50 1900±n/a nM
Citation Gangjee ALin XKisliuk RLMcGuire JJ Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and a J Med Chem 48:7215-22 (2005) [PubMed]  Article
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Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:Enzyme
Mol. Mass.:21453.99
Organism:Homo sapiens (Human)
Description:Recombinant human DHFR.
Residue:187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND
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BDBM18771
BDBM18044
NameBDBM18771
Synonyms:(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid | CB3717 | CHEMBL389051 | PDDF
TypeSmall organic molecule
Emp. Form.C24H23N5O6
Mol. Mass.477.4693
SMILESNc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Structure
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