Selected article for: "accession number and UniProt accession number"

Author: Yadi Zhou; Yuan Hou; Jiayu Shen; Yin Huang; William Martin; Feixiong Cheng
Title: Network-based Drug Repurposing for Human Coronavirus
  • Document date: 2020_2_5
  • ID: b4mdiont_73
    Snippet: Here, we collected drug-target interaction information from the DrugBank database (v4.3) [79] , Therapeutic Target Database (TTD) [80] , PharmGKB database, ChEMBL (v20) [81] , BindingDB [82] , and IUPHAR/BPS Guide to PHARMACOLOGY [83] . The chemical structure of each drug with SMILES format was extracted from DrugBank [79] . Here, only drug-target interactions meeting the following three criteria were used: (i) binding affinities, including Ki, K.....
    Document: Here, we collected drug-target interaction information from the DrugBank database (v4.3) [79] , Therapeutic Target Database (TTD) [80] , PharmGKB database, ChEMBL (v20) [81] , BindingDB [82] , and IUPHAR/BPS Guide to PHARMACOLOGY [83] . The chemical structure of each drug with SMILES format was extracted from DrugBank [79] . Here, only drug-target interactions meeting the following three criteria were used: (i) binding affinities, including Ki, Kd, IC50 or EC50 each ≤ 10 μM; (ii) the target was marked as 'reviewed' in the UniProt database [84] ; and (iii) the human target was represented by a unique UniProt accession number. The details for building the experimentally validated drug-target network are provided in our recent study [12] .

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