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Reaction Details
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TargetDihydrofolate reductase
LigandBDBM18044
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54409 (CHEMBL667167)
pH7±n/a
Temperature298.15±n/a K
Kd 6600±n/a nM
Citation Taira, KBenkovic, SJ Evaluation of the importance of hydrophobic interactions in drug binding to dihydrofolate reductase. J Med Chem31:129-37 (1988) [PubMed]
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Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:Dihydrofolate reductase (F31V) | dfrA17
Type:n/a
Mol. Mass.:17532.46
Organism:Escherichia coli
Description:n/a
Residue:157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYA
VVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHV
EVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
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BDBM18044
n/a
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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