Reaction Details | |||
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Report a problem with these data | |||
Target | Integrase | ||
Ligand | BDBM294677 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Anti-HIV Activity MT4 Assay | ||
IC50 | 3.00±n/a nM | ||
Citation | Johns, BA; Velthuisen, EJ; Weatherhead, JG; Suwandi, L; Temelkoff, D Isoindoline derivatives for use in the treatment of a viral infection US Patent US10112899 Publication Date 10/30/2018 | ||
More Info.: | Get all data from this article, Assay Method | ||
Integrase | |||
Name: | Integrase | ||
Synonyms: | Human immunodeficiency virus type 1 integrase | ||
Type: | PROTEIN | ||
Mol. Mass.: | 32231.48 | ||
Organism: | Human immunodeficiency virus 1 | ||
Description: | ChEMBL_90865 | ||
Residue: | 288 | ||
Sequence: |
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BDBM294677 | |||
n/a | |||
Name | BDBM294677 | ||
Synonyms: | US10112899, Example 156 | ||
Type | Small organic molecule | ||
Emp. Form. | C35H40FNO6 | ||
Mol. Mass. | 589.6936 | ||
SMILES | COc1cc(ccc1C)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C |r,wD:32.36,(-7.06,-3.17,;-5.52,-3.17,;-4.75,-4.51,;-3.21,-4.51,;-2.44,-5.84,;-3.21,-7.17,;-4.75,-7.17,;-5.52,-5.84,;-7.06,-5.84,;-.9,-5.84,;-.13,-7.17,;-.13,-4.51,;1.4,-4.34,;1.72,-2.84,;.39,-2.07,;-.75,-3.1,;.39,-.53,;-.94,.24,;1.72,.24,;1.72,1.78,;3.06,2.55,;3.06,4.09,;4.39,4.86,;1.72,4.86,;1.72,6.4,;.39,7.17,;-.94,6.4,;-.94,4.86,;.39,4.09,;.39,2.55,;-.94,1.78,;3.06,-.53,;4.39,.24,;4.39,1.78,;5.72,2.55,;5.72,4.09,;7.06,1.78,;7.06,3.32,;5.72,-.53,;7.06,.24,;5.72,-2.07,;3.06,-2.07,;4.39,-2.84,)| | ||
Structure |