| Reaction Details |
|---|
| Report a problem with these data |
| Target | Dihydrofolate Reductase (DHFR) |
|---|
| Ligand | 1,8-naphthalein derivative, 13 |
|---|
| Substrate/Competitor | dihydrofolic acid |
|---|
| Meas. Tech. | Dihydrofolate Reductase (DHFR) Assay |
|---|
| pH | 7±n/a |
|---|
| Temperature | 298.15±n/a K |
|---|
| Ki | 3400±n/a nM |
|---|
| Citation |  Costi, MP; Gelain, A; Barlocco, D; Ghelli, S; Soragni, F; Reniero, F; Rossi, T; Ruberto, A; Guillou, C; Cavazzuti, A; Casolari, C; Ferrari, S Antibacterial agent discovery using thymidylate synthase biolibrary screening.J Med Chem.49:5958-68(2006)[PubMed] |
|---|
| More Info. |
Get all data from this article
, Inhibition_Run data
, Solution Info
, Assay Method
|
|---|
| Dihydrofolate Reductase (DHFR) |
|---|
| Name | Dihydrofolate Reductase (DHFR) |
|---|
| Synonyms | EC 1.5.1.3 | Tetrahydrofolate dehydrogenase |
|---|
| Type | Enzyme |
|---|
| Mol. Mass. | 21453 |
|---|
| Organism | Homo sapiens (human) |
|---|
| Description | Recombinant human DHFR. |
|---|
| Residue | 187 |
|---|
| Sequence | MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND
| |
|
|---|
| 1,8-naphthalein derivative, 13 |
|---|
| Name | 1,8-naphthalein derivative, 13 |
|---|
| Synonyms: | 4-(3-bromo-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H15BrO4 |
|---|
| Mol. Mass. | 447.278 |
|---|
| SMILES | Oc1ccc(cc1)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1 |
|---|
| Structure | |
|---|
| dihydrofolic acid |
|---|
| Name | dihydrofolic acid |
|---|
| Synonyms: | (2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H21N7O6 |
|---|
| Mol. Mass. | 443.4133 |
|---|
| SMILES | Nc1nc(=O)c2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1 |t:6| |
|---|
| Structure | |
|---|