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National Institute of Allergy and Infectious Disease
NIH 3D
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NIH3D

Pemetrexed

PubChem 135410875
was used by NIH 3D workflows to automatically generate models for
Cyrus Nouroozi
Created:
10/8/25
Submitted:
10/7/26
Published:
10/7/26
ball-and-stick, color, print caution
135410875-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-022980

NIH 3D DOI:

https://doi.org/10.60705/3dpx/22980.2

Licensing:

CC-BY
How to cite this NIH 3D entry
135
66
Version 2

Category

Small Molecules
Small Molecules
Description
Pemetrexed is an N-acylglutamic acid in which the N-acyl group is specified as 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). It has a role as an antimetabolite, an antineoplastic agent, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an EC 2.1.1.45 (thymidylate synthase) inhibitor and an EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor. It is a N-acyl-L-glutamic acid and a pyrrolopyrimidine. It is a conjugate acid of a pemetrexed(2-).
Source Data Details
https://pubchem.ncbi.nlm.nih.gov/image/imagefly.cgi?cid=135410875&width=400&height=400