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NIH3D

Dolutegravir

PubChem 54726191
was used by NIH 3D workflows to automatically generate models for
ericcjen
Created:
8/11/16
Submitted:
3/6/23
Published:
3/6/23

Select an image below to view

3DPX-003554

Licensing:

Public Domain
40
10
Version 2

Category

Small Molecules
Small Molecules
Description

Dolutegravir is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1. It has a role as a HIV-1 integrase inhibitor. It is a monocarboxylic acid amide, an organic heterotricyclic compound, a secondary carboxamide and a difluorobenzene. It is a conjugate acid of a dolutegravir(1-).
https://pubchem.ncbi.nlm.nih.gov/image/imagefly.cgi?cid=54726191&width=400&height=400
https://pubchem.ncbi.nlm.nih.gov/image/imagefly.cgi?cid=54726191&width=400&height=400