SMILES strings for resynthesized and newly designed pteridine compounds

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Compound SMILES of resynthesized or newly designed pteridine compounds 1b, 1c, 2a-e, 3a-e, 4a-j and 5a-f used for ligand preparation within Maestro (Schrödinger, LLC, New York, NY, Schrödinger Release 2015-4, 2015, Maestro.). SMILES strings and compound identifiers are comma-separated and can be readily imported in Maestro.

SEEK ID: https://fairdomhub.org/data_files/3810?version=2

Filename: pteridines_smiles.smi  Download

Format: SMIL document

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Antonio Quotadamo

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Views: 581   Downloads: 32

Created: 22nd Aug 2020 at 12:16

Last updated: 16th Jul 2021 at 11:49

Last used: 22nd May 2022 at 15:51

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Version 2 (latest) Created 16th Jul 2021 at 11:49 by Ina Poehner

Updated nomenclature

Version 1 (earliest) Created 22nd Aug 2020 at 12:16 by Ina Poehner

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