Reaction Details | |||
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Report a problem with these data | |||
Target | Integrase | ||
Ligand | BDBM294670 | ||
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: |
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BDBM294670 | |||
n/a | |||
Name | BDBM294670 | ||
Synonyms: | US10112899, Example 149 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H38FNO5 | ||
Mol. Mass. | 559.6676 | ||
SMILES | Cc1cccc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C |r,wD:30.34,(-3.21,-9.17,;-2.44,-7.84,;-.9,-7.84,;-.13,-6.51,;-.9,-5.17,;-2.44,-5.17,;-3.21,-6.51,;-3.21,-3.84,;-4.75,-3.84,;-2.44,-2.5,;-.91,-2.34,;-.59,-.84,;-1.92,-.07,;-3.06,-1.1,;-1.92,1.47,;-3.25,2.24,;-.59,2.24,;-.59,3.78,;.75,4.55,;.75,6.09,;2.08,6.86,;-.59,6.86,;-.59,8.4,;-1.92,9.17,;-3.25,8.4,;-3.25,6.86,;-1.92,6.09,;-1.92,4.55,;-3.25,3.78,;.75,1.47,;2.08,2.24,;2.08,3.78,;3.41,4.55,;3.41,6.09,;4.75,3.78,;4.75,5.32,;3.41,1.47,;4.75,2.24,;3.41,-.07,;.75,-.07,;2.08,-.84,)| | ||
Structure |