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Reaction Details
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TargetDihydrofolate reductase
LigandBDBM50006906
Substrate/Competitorn/a
Meas. Tech.ChEBML_55290
Ki 0.580000±n/a nM
Citation Jones, TRThornton, TJFlinn, AJackman, ALNewell, DRCalvert, AH Quinazoline antifolates inhibiting thymidylate synthase: 2-desamino derivatives with enhanced solubility and potency. J Med Chem32:847-52 (1989) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase; P. carinii vs rat
Synonyms:Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:Enzyme
Mol. Mass.:21638.84
Organism:Rattus norvegicus (rat)
Description:n/a
Residue:187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSS
VYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKF
EVYEKKD
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  Blast E-value cutoff:
BDBM50006906
NameBDBM50006906
Synonyms:2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 5-ethyl ester | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL23977
TypeSmall organic molecule
Emp. Form.C21H21N5O6
Mol. Mass.439.4213
SMILESNc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure
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n/a