| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM226171 |
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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 | 11000±870 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 |
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| Synonyms: | DHFR | DYR_BOVIN | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) |
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| Type: | Enzyme |
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| Mol. Mass.: | 21603.71 |
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| Organism: | Bos taurus (Cattle) |
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| Description: | P00376 |
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| Residue: | 187 |
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| Sequence: | MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSS
VYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKF
EVYEKNN
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| BDBM226171 |
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| n/a |
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| Name | BDBM226171 |
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| Synonyms: | (6,7-Dimethoxy)-2-((4-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methylthio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one (26) |
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| Type | Small organic molecule |
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| Emp. Form. | C26H22ClN5O4S2 |
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| Mol. Mass. | 568.067 |
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| SMILES | COc1ccc(cc1)-n1c(SCc2nnc(S)n2-c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O |
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| Structure | 
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