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TargetDihydrofolate reductase
LigandBDBM18796
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54125 (CHEMBL668080)
IC50 6600±n/a nM
Citation Gangjee, AYu, JMcGuire, JJCody, VGalitsky, NKisliuk, RLQueener, SF Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent. J Med Chem43:3837-51 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:DHFR | DYR_HUMAN | 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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  Blast E-value cutoff:
BDBM18796
n/a
NameBDBM18796
Synonyms:(2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid | LY231514 | Pemetrexed
TypeSmall organic molecule
Emp. Form.C20H21N5O6
Mol. Mass.427.4106
SMILESNc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Structure
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