On Target CCR5_HUMAN 0.30337077/CHEMBL64591
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.30337077, the most similar ligand is CHEMBL64591. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL64591 (Similar Ligand) |
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| O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CO3)cc1.[I-] |
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| 00050000 41000008 20000500 00010300 00280040 00000000 82000080 00000400 01800000 01000840 40000000 4010d000 0c00802a 02800000 00000002 00089008 00820400 02000100 3341a018 00020201 00000020 08000a00 05000001 08400010 00001400 80000000 00422000 40000420 00400200 0002010a 04020000 00000010 | 04006202 01008828 20100108 80010600 20201001 02200000 82040080 22001400 05800104 004008c0 40280004 70019008 16808812 00118000 01020443 00082008 20260400 22009100 1c818018 10820201 40140000 18008600 310820a0 00500010 00001000 c0000000 00422000 d00104c1 0040c300 00260001 24240000 00000252 |