Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM294709

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:

FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED

BDBM294709

n/a

Name

BDBM294709

Synonyms:

US10112899, Example 187

Type

Small organic molecule

Emp. Form.

C34H37F2NO6

Mol. Mass.

593.6575

SMILES

COc1ccc(cc1F)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,(-7.44,-4.51,;-6.67,-5.84,;-5.13,-5.84,;-4.36,-7.17,;-2.82,-7.17,;-2.05,-5.84,;-2.82,-4.51,;-4.36,-4.51,;-5.13,-3.17,;-.51,-5.84,;.26,-7.17,;.26,-4.51,;1.79,-4.34,;2.11,-2.84,;.77,-2.07,;-.37,-3.1,;.77,-.53,;-.56,.24,;2.11,.24,;2.11,1.78,;3.44,2.55,;3.44,4.09,;4.78,4.86,;2.11,4.86,;2.11,6.4,;.77,7.17,;-.56,6.4,;-.56,4.86,;.77,4.09,;.77,2.55,;-.56,1.78,;3.44,-.53,;4.78,.24,;4.78,1.78,;6.11,2.55,;6.11,4.09,;7.44,1.78,;7.44,3.32,;6.11,-.53,;7.44,.24,;6.11,-2.07,;3.44,-2.07,;4.78,-2.84,)|

Structure