Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Integrase | ||
Ligand | BDBM294679 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Anti-HIV Activity MT4 Assay | ||
IC50 | 2.00±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: |
| ||
BDBM294679 | |||
n/a | |||
Name | BDBM294679 | ||
Synonyms: | US10112899, Example 158 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H36FNO5 | ||
Mol. Mass. | 545.641 | ||
SMILES | Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccccc1 |r,wD:23.27,(3.62,-2.84,;2.29,-2.07,;.95,-2.84,;.63,-4.34,;-.9,-4.51,;-1.52,-3.1,;-.38,-2.07,;-.38,-.53,;-1.71,.24,;.95,.24,;.95,1.78,;2.29,2.55,;2.29,4.09,;3.62,4.86,;.95,4.86,;.95,6.4,;-.38,7.17,;-1.71,6.4,;-1.71,4.86,;-.38,4.09,;-.38,2.55,;-1.71,1.78,;2.29,-.53,;3.62,.24,;3.62,1.78,;4.95,2.55,;4.95,4.09,;6.29,1.78,;6.29,3.32,;4.95,-.53,;6.29,.24,;4.95,-2.07,;-1.67,-5.84,;-.9,-7.17,;-3.21,-5.84,;-3.98,-4.51,;-5.52,-4.51,;-6.29,-5.84,;-5.52,-7.17,;-3.98,-7.17,)| | ||
Structure |