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 |