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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gag-Pol polyprotein [489-587] | ||
| Ligand | BDBM50030566 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_195213 (CHEMBL800924) | ||
| IC50 | 4500±n/a nM | ||
| Citation |  Xie, L; Xie, JX; Kashiwada, Y; Cosentino, LM; Liu, SH; Pai, RB; Cheng, YC; Lee, KH Anti-AIDS (acquired immune deficiency syndrome) agents. 17. New brominated hexahydroxybiphenyl derivatives as potent anti-HIV agents. J Med Chem38:3003-8 (1995) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Gag-Pol polyprotein [489-587] | |||
| Name: | Gag-Pol polyprotein [489-587] | ||
| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 10781.16 | ||
| Organism: | Human immunodeficiency virus type 1 | ||
| Description: | P04585[489-587] | ||
| Residue: | 99 | ||
| Sequence: |
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| BDBM50030566 | |||
| n/a | |||
| Name | BDBM50030566 | ||
| Synonyms: | 6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl]-5,5'-dicarboxylic acid dimethyl ester | CHEMBL317773 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H17BrO10 | ||
| Mol. Mass. | 497.247 | ||
| SMILES | COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| | ||
| Structure | 
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