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. 2020 Jun 19;11:932. doi: 10.3389/fphar.2020.00932

Table 3.

The number and proportion of target proteins with the absolute value of docking score more than 5.

Compounds Docking score (the absolute value >5) Proportion of protein (%) PDB ID or Gene name
Ferulic acid 4-O-β-D-glucopyranoside 44 100.00 1N5U, 2NNJ, 4GQS, 2O6L, 4D6Z, 3PBL, 5WIU, 4IAQ, 1OZ5, 2P54, 5HJP, 2GL8, 3KQ0, 1S3E, 3AQE, 5II0, 3DHP, 4GAF, 1XU9, 3GLK, 3CZF, 6H1A, 5U09, 2Q8G, 2BTZ, 2E0A, 5TZR, 2XRW, 1HRN, 1L2H, 3DLX, 4M3P, 2AG5, 5MPR, AACS, BDH1, CHDH, FAH, HMGCLL1, IARS, IARS2, OXCT2, VARS, VARS2
Bufotenidine 38 86.36 1N5U, 2NNJ, 4GQS, 2O6L, 4D6Z, 5WIU, 4IAQ, 1OZ5, 2P54, 5HJP, 2GL8, 3KQ0, 1S3E, 3AQE, 5II0, 3DHP, 1XU9, 3GLK, 3CZF, 6H1A, 5U09, 2Q8G, 2BTZ, 2E0A, 5TZR, 2XRW, 1HRN, 3DLX, 4M3P, 2AG5, 5MPR, BDH1, CHDH, FAH, IARS2, OXCT2, VARS, VARS2
Jatrorrhizine 38 86.36 2NNJ, 4GQS, 2O6L, 4D6Z, 3PBL, 5WIU, 4IAQ, 1OZ5, 2P54, 5HJP, 2GL8, 3KQ0, 1S3E, 3AQE, 5II0, 3DHP, 4GAF, 1XU9, 3GLK, 3CZF, 6H1A, 5U09, 2Q8G, 2BTZ, 2E0A, 2XRW, 1HRN, 1L2H, 3DLX, 4M3P, 2AG5, 5MPR, BDH1, CHDH, IARS, IARS2, OXCT2, VARS
Berberine 32 72.73 2NNJ, 4GQS, 2O6L, 4D6Z, 3PBL, 5WIU, 4IAQ, 1OZ5, 2P54, 5HJP, 2GL8, 3KQ0, 3AQE, 5II0, 3DHP, 4GAF, 1XU9, 3CZF, 5U09, 2Q8G, 2XRW, 1HRN, 1L2H, 3DLX, 4M3P, 2AG5, BDH1, CHDH, FAH, IARS, IARS2, VARS
Palmatine 29 65.91 2NNJ, 4GQS, 2O6L, 4D6Z, 3PBL, 5WIU, 4IAQ, 1OZ5, 2P54, 5HJP, 2GL8, 3AQE, 5II0, 3DHP, 1XU9, 3CZF, 5U09, 2Q8G, 2XRW, 1HRN, 3DLX, 4M3P, 2AG5, BDH1, CHDH, HMGCLL1, IARS2, VARS, VARS2
Magnoflorine 23 52.27 2NNJ, 4GQS, 2O6L, 5WIU, 4IAQ, 1OZ5, 2P54, 5HJP, 2GL8, 3KQ0, 1S3E, 3GLK, 3CZF, 5U09, 5TZR, 1HRN, 1L2H, 3DLX, 4M3P, BDH1, CHDH, FAH, IARS2