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.


Filename: pteridines_smiles.smi  Download

Format: SMIL document

Size: 1.85 KB

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Antonio Quotadamo


Views: 732   Downloads: 34

Created: 22nd Aug 2020 at 12:16

Last updated: 16th Jul 2021 at 11:49

Last used: 14th Aug 2022 at 22:42

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Version History

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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