| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18067 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Determination of IC50 Values |
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| pH | 7±n/a |
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| Temperature | 303.15±n/a K |
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| IC50 | 75±6 nM |
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| Citation |  Summerfield, RL; Daigle, DM; Mayer, S; Mallik, D; Hughes, DW; Jackson, SG; Sulek, M; Organ, MG; Brown, ED; Junop, MS A 2.13 A structure of E. coli dihydrofolate reductase bound to a novel competitive inhibitor reveals a new binding surface involving the M20 loop region. J Med Chem49:6977-86 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Dihydrofolate reductase |
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| Name: | Dihydrofolate reductase |
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| Synonyms: | Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA |
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| Type: | Enzyme |
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| Mol. Mass.: | 17991.61 |
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| Organism: | Escherichia coli |
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| Description: | E. coli DHFR was expressed in BL21, and purified to homogeneity. |
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| Residue: | 159 |
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| Sequence: | MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
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| BDBM18067 |
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| BDBM18044 |
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| Name | BDBM18067 |
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| Synonyms: | 3-({[(3-{[(carbamimidamidomethanimidoyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}methanimidoyl)guanidine | amidinothiouronium, 22 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H18N8S2 |
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| Mol. Mass. | 338.455 |
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| SMILES | NC(=N)NC(=N)SCc1cccc(CSC(=N)NC(N)=N)c1 |
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| Structure | 
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