Reaction Details | |||
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Report a problem with these data | |||
Target | Integrase | ||
Ligand | BDBM294850 | ||
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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BDBM294850 | |||
n/a | |||
Name | BDBM294850 | ||
Synonyms: | US10112899, Example 320 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H38F2N2O5 | ||
Mol. Mass. | 556.6406 | ||
SMILES | Cc1c2CN(Cc2c(C)c(-c2ccc3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(F)(F)C1 |r,wD:22.26,(2.08,-1.44,;.75,-.67,;-.59,-1.44,;-.91,-2.95,;-2.44,-3.11,;-3.06,-1.71,;-1.92,-.67,;-1.92,.87,;-3.25,1.64,;-.59,1.64,;-.59,3.18,;.75,3.95,;.75,5.49,;-.59,6.26,;-.59,7.8,;-1.92,8.57,;-3.25,7.8,;-3.25,6.26,;-1.92,5.49,;-1.92,3.95,;-3.25,3.18,;.75,.87,;2.08,1.64,;2.08,3.18,;3.41,3.95,;3.41,5.49,;4.75,3.18,;4.75,4.72,;3.41,.87,;4.75,1.64,;3.41,-.67,;-3.21,-4.45,;-4.75,-4.45,;-2.44,-5.78,;-3.34,-7.03,;-2.44,-8.27,;-.97,-7.8,;.36,-7.03,;.36,-8.57,;-.97,-6.26,)| | ||
Structure |