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. 2021 Oct 12;9:722633. doi: 10.3389/fchem.2021.722633

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Copyright © 2021 Mahmudpour, Nabipour, Keshavarz and Farrokhnia.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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(A) The predicted binding site by CPACH-D server. The protein template is a serine protease of the coagulation system (PDB: 5jb8) and ligand is [(4S, 5S)-4-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]-6-chloro-5-hydroxyhexyl]-(diaminomethylidene)azanium with pubchem CID: 137347860. (B) The binding sites predicted by Sitemap. Site1: Sitescore 0.972, Dscore 1.001, size 87, and volume 150. Site 2: Sitescore 0.968, Dscore 1.026, size 91, and volume 228. Site 3: Sitescore 0.994, Dscore 1.044, size 108, and volume 331.