Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM294659

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:

FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED

BDBM294659

n/a

Name

BDBM294659

Synonyms:

US10112899, Example 138

Type

Small organic molecule

Emp. Form.

C34H36FNO7

Mol. Mass.

589.6505

SMILES

Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc2OCOc12 |r,wD:23.27,(3.62,-1.65,;2.29,-.88,;.95,-1.65,;.63,-3.16,;-.9,-3.32,;-1.52,-1.91,;-.38,-.88,;-.38,.66,;-1.71,1.43,;.95,1.43,;.95,2.97,;2.29,3.74,;2.29,5.28,;3.62,6.05,;.95,6.05,;.95,7.59,;-.38,8.36,;-1.71,7.59,;-1.71,6.05,;-.38,5.28,;-.38,3.74,;-1.71,2.97,;2.29,.66,;3.62,1.43,;3.62,2.97,;4.95,3.74,;4.95,5.28,;6.29,2.97,;6.29,4.51,;4.95,.66,;6.29,1.43,;4.95,-.88,;-1.67,-4.65,;-.9,-5.99,;-3.21,-4.65,;-3.98,-3.32,;-5.52,-3.32,;-6.29,-4.65,;-5.52,-5.99,;-5.99,-7.45,;-4.75,-8.36,;-3.5,-7.45,;-3.98,-5.99,)|

Structure