Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM294718

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

BDBM294718

n/a

Name

BDBM294718

Synonyms:

US10112899, Example 195

Type

Small organic molecule

Emp. Form.

C34H37F2NO6

Mol. Mass.

593.6575

SMILES

COc1c(F)cccc1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C |r,wD:32.36,(-3.98,-8.51,;-3.21,-7.17,;-3.98,-5.84,;-5.52,-5.84,;-6.29,-7.17,;-6.29,-4.51,;-5.52,-3.17,;-3.98,-3.17,;-3.21,-4.51,;-1.67,-4.51,;-.9,-5.84,;-.9,-3.17,;.63,-3.01,;.95,-1.5,;-.38,-.73,;-1.52,-1.76,;-.38,.81,;-1.71,1.58,;.95,1.58,;.95,3.12,;2.29,3.89,;2.29,5.43,;3.62,6.2,;.95,6.2,;.95,7.74,;-.38,8.51,;-1.71,7.74,;-1.71,6.2,;-.38,5.43,;-.38,3.89,;-1.71,3.12,;2.29,.81,;3.62,1.58,;3.62,3.12,;4.95,3.89,;4.95,5.43,;6.29,3.12,;6.29,4.66,;4.95,.81,;6.29,1.58,;4.95,-.73,;2.29,-.73,;3.62,-1.5,)|

Structure