On Target CCR5_HUMAN 0.2195122/CHEMBL64322
For the given ligand Aucubin, we have found in our database that, being scored 0.2195122, the most similar ligand is CHEMBL64322. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL64322 (Similar Ligand) |
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| OC/C2=C/[C@@H](O)[C@@H]3/C=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]23 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1.[I-] |
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| 00000040 81000000 00000801 80010101 80290041 00000001 00022880 28010402 00200000 015000e8 08000200 40418010 80020002 02800000 02000404 012a9008 00800004 00000000 1141e010 00008201 00100020 00001090 0500a000 08100010 00201420 80201400 00404002 a4000020 00004240 00000000 14a00000 00000000 | 10096202 01008800 00100302 80010700 a2080001 00002000 80000080 02001400 01800900 205808c0 08380004 60019808 0422880a 00398000 00020462 0008000a 20260400 02001100 0cc1a000 10800201 40100120 18008610 3108e0a0 00500010 01000401 c0002001 00406000 d00100c1 0040c302 00260003 24240000 00000600 |