Reaction Details | |||
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Report a problem with these data | |||
Target | Integrase | ||
Ligand | BDBM294624 | ||
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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BDBM294624 | |||
n/a | |||
Name | BDBM294624 | ||
Synonyms: | (S)-2-(tert-butoxy)-2-((M)-2-(3,3-dimethylbutanoyl)-6-(8-fluoro-5-methylchroman-6-yl)-4,7-dimethylisoindolin-5-yl)acetic acid | US10112899, Example 104 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H42FNO5 | ||
Mol. Mass. | 539.678 | ||
SMILES | Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)CC(C)(C)C |r,wD:23.27,(3.24,-2.17,;1.9,-1.4,;.57,-2.17,;.25,-3.68,;-1.28,-3.84,;-1.91,-2.43,;-.77,-1.4,;-.77,.14,;-2.1,.91,;.57,.91,;.57,2.45,;1.9,3.22,;1.9,4.76,;3.24,5.53,;.57,5.53,;.57,7.07,;-.77,7.84,;-2.1,7.07,;-2.1,5.53,;-.77,4.76,;-.77,3.22,;-2.1,2.45,;1.9,.14,;3.24,.91,;3.24,2.45,;4.57,3.22,;5.9,2.45,;4.57,4.76,;5.9,3.99,;4.57,.14,;5.9,.91,;4.57,-1.4,;-2.05,-5.17,;-1.28,-6.51,;-3.59,-5.17,;-4.36,-6.51,;-5.9,-6.51,;-3.59,-7.84,;-5.13,-7.84,)| | ||
Structure |