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National Institute of Allergy and Infectious Disease
NIH 3D
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NIH3D

Ibrutinib

PubChem 24821094
was used by NIH 3D workflows to automatically generate models for
Robert Britton
Created:
11/23/17
Submitted:
10/6/26
Published:
10/7/26
ball-and-stick, color, print caution
24821094-bas-color-print_cautionAtoms shown as ball-and-stick (geometry appears faceted on screen; apply smooth normals in Blender or similar to improve visualization; generally smooth when 3D printed) with standard colors. 3D printable, with caution, using certain 3D printers.

Select an image below to view

ball-and-stick, color, print cautionball-and-stick, no color, NIH 3D repairedthin sticks, colorthin sticks, no colorthick sticks, color, print cautionthick sticks, no color, NIH 3D repairedspace-filled, color, print cautionspace-filled, no color, NIH 3D repaired

Learn more about NIH 3D workflow outputs

3DPX-008346

NIH 3D DOI:

https://doi.org/10.60705/3dpx/8346.3

Licensing:

Public Domain
How to cite this NIH 3D entry
439
33
Version 3

Category

Small Molecules
Small Molecules
Description
Ibrutinib is a member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. It has a role as an antineoplastic agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a tertiary carboxamide, a member of acrylamides, an aromatic amine, an aromatic ether, a pyrazolopyrimidine and a N-acylpiperidine.
Source Data Details
https://pubchem.ncbi.nlm.nih.gov/image/imagefly.cgi?cid=24821094&width=400&height=400