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TargetDihydrofolate Reductase (DHFR)
LigandBDBM18050
Substrate/CompetitorBDBM18044
Meas. Tech.Enzyme Inhibition Assay
pH7.1±n/a
Temperature295.15±n/a K
IC50 15±n/a nM
Citation Bennett, BCXu, HSimmerman, RFLee, REDealwis, CG Crystal Structure of the Anthrax Drug Target, Bacillus anthracis Dihydrofolate Reductase. J Med Chem50:4374-81 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Dihydrofolate Reductase (DHFR)
Name:Dihydrofolate Reductase (DHFR)
Synonyms:baDHFR
Type:Enzyme
Mol. Mass.:19120.62
Organism:Bacillus anthracis
Description:baDHFR was expressed in E. coli BL21, and purified to homogeneity.
Residue:162
Sequence:
MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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BDBM18050
NameBDBM18050
Synonyms:2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | METHOTREXATE | MTX | Methotrexate | cid_126941
TypeSmall organic molecule
Emp. Form.C20H22N8O5
Mol. Mass.454.4393
SMILESCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure
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BDBM18044
NameBDBM18044
Synonyms:(2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid | (S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | dihydrofolic acid
TypeSmall organic molecule
Emp. Form.C19H21N7O6
Mol. Mass.443.4133
SMILESNc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27|
Structure
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