Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM226175 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Dihydrofolate Reductase (DHFR) Inhibition Assay |
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pH | 7.4±n/a |
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Temperature | 298.15±n/a K |
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IC50 | 14700±1260 nM |
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Comments | extracted |
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Citation | El-Gazzar, YI; Georgey, HH; El-Messery, SM; Ewida, HA; Hassan, GS; Raafat, MM; Ewida, MA; El-Subbagh, HI Synthesis, biological evaluation and molecular modeling study of new (1,2,4-triazole or 1,3,4-thiadiazole)-methylthio-derivatives of quinazolin-4(3H)-one as DHFR inhibitors Bioorg Chem72:282-292 (2017) |
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More Info.: | Get all data from this article, Assay Method |
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Dihydrofolate reductase |
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Name: | Dihydrofolate reductase |
Synonyms: | DHFR | DYR_BOVIN | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) |
Type: | Enzyme |
Mol. Mass.: | 21603.71 |
Organism: | Bos taurus (Cattle) |
Description: | P00376 |
Residue: | 187 |
Sequence: | MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSS
VYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKF
EVYEKNN
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BDBM226175 |
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n/a |
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Name | BDBM226175 |
Synonyms: | 6,7-Dimethoxy-2-((5-(4-chlorophenylamino)-1,3,4-thiadiazol-2-yl)methylthio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one (30) |
Type | Small organic molecule |
Emp. Form. | C26H22ClN5O4S2 |
Mol. Mass. | 568.067 |
SMILES | COc1ccc(cc1)-n1c(SCc2nnc(Nc3ccc(Cl)cc3)s2)nc2cc(OC)c(OC)cc2c1=O |
Structure |
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