On Target CCR5_HUMAN 0.21717171/CHEMBL62598
For the given ligand Genipin, we have found in our database that, being scored 0.21717171, the most similar ligand is CHEMBL62598. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL62598 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCC(=O)CC4)cc2)CCO3)cc1.[I-] |
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| 00010000 81000000 00000801 10010101 00290001 00000001 00020000 08001402 01000000 00508048 08000200 40409010 8402802a 02800000 02000405 01280008 00820004 00000000 10446010 00008a01 00000000 00000a00 0100a000 00000010 00201000 80200400 00405000 a0000000 00004240 00000000 0e00a000 00000010 | 04076202 01008808 20100308 80010700 20301001 02002000 82040080 22001400 01900104 005008c0 00280304 60019008 0480881a 00118000 11020447 00082008 20060400 22009100 1e41a00c 10828201 40100000 58008610 3108a000 00500010 01000000 c0000000 00422200 d00100c1 0040c300 80260001 24240000 00800a02 |