Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM294740

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

BDBM294740

n/a

Name

BDBM294740

Synonyms:

(S)-2-(tert-butoxy)-2-((M)-2-(3,3-dimethylpyrrolidine-1-carbonyl)-6-(8-fluoro-5-methylchroman-6-yl)-4,7-dimethylisoindolin-5-yl)acetic acid | US10112899, Example 214

Type

Small organic molecule

Emp. Form.

C33H43FN2O5

Mol. Mass.

566.7033

SMILES

Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(C)(C)C1 |r,wD:23.27,(4.07,-2.58,;2.74,-1.81,;1.4,-2.58,;1.08,-4.09,;-.45,-4.25,;-1.08,-2.84,;.07,-1.81,;.07,-.27,;-1.27,.5,;1.4,.5,;1.4,2.04,;2.74,2.81,;2.74,4.35,;4.07,5.12,;1.4,5.12,;1.4,6.66,;.07,7.43,;-1.27,6.66,;-1.27,5.12,;.07,4.35,;.07,2.81,;-1.27,2.04,;2.74,-.27,;4.07,.5,;4.07,2.04,;5.4,2.81,;6.74,3.58,;5.4,4.35,;6.74,2.04,;5.4,-.27,;6.74,.5,;5.4,-1.81,;-1.22,-5.58,;-.45,-6.91,;-2.76,-5.58,;-3.53,-4.25,;-5.04,-4.57,;-5.2,-6.1,;-6.74,-6.1,;-5.97,-7.43,;-3.79,-6.72,)|

Structure