Table 1.
Twenty-Five Available 3D Structures of Compounds from PubChem Database and 3D Structures of Selected Target Proteins from Protein Data Bank (PDB).
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| Phenol, 2,4-bis (1,1-dimethylethyl)- | 1-Hexadecene |
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| Ethyl. alpha. -d-glucopyranoside | 11-Tetradecen-1-ol, acetate, (Z)- |
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| 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester | Pentadecanoic acid, ethyl ester |
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| 2-(Diethylamino)-N-(2,6-dimethylphenyl)ACE | Ethyl 9-hexadecenoate |
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| 7,9-Di-tert-butyl-1-oxaspiro (4,5) deca-6,9-diene-2,8-dione | Ethyl 9-hexadecanoate |
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| Hexadecanoic acid, ethyl ester | 9,12-Octadecadienoic acid (Z,Z)-, methyl ester |
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| 9,12-Octadecadienoyl chloride, (Z, Z)- | Linoleic acid ethyl ester |
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| Octadecanoic acid, ethyl ester | Octanoic acid, 2-dimethylaminoethyl ester |
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| 9-Octadecenal, (Z)- | 3-Cyclopentylpropionic acid, 2-dimethylaminoethyl ester |
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| Benzyl diethyl-(2,6-xylylcarbamoylmethyl)-ammonium ben | Ergosta-5,7,9(11),22-tetraen-3-ol, (3. beta.,22E)- |
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| Stigmasta-5,22-dien-3-ol, acetate, (3. beta.,22Z)- | Stigmast-5-en-3-ol, oleat |
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| Ergosta-5,7,22-trien-3-ol, (3. beta.,22E)- | Stigmasta-5,23-dien-3-ol, (3. beta.)- |
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| Gamma—Sitosterol | Progesterone, 1A28 |
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| EGFR, 5GTY | NF-kB2, 4OT9 |