On Target CXCR1_HUMAN 0.18037975/CHEMBL3906175
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.18037975, the most similar ligand is CHEMBL3906175. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL3906175 (Similar Ligand) |
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| O=C(O)/C2=C/O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3/C(CO)=C\C[C@H]23 | CCOC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3CCCS3)c(=O)c2=O)c1F |
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| 00010040 81000000 00000801 80010101 80290041 00000001 00022880 08001402 01200000 015080e8 08000200 40419010 8402802a 02800000 02000404 012a9008 00800004 00000000 1145e010 00008a01 00100020 00001a90 0500a000 08100010 00201420 80200400 00405002 a4000020 00004240 00000000 0ea0a000 00000000 | 1041c08a c3205800 e0180302 8a112700 24090081 08002818 800002a0 222d1500 05e04d40 071b48d0 00380034 5043b880 ce098c5f 41241008 800a9468 100811c8 16874601 22008c00 0863aa30 26000241 40100da0 18168e00 33000300 2658001c 04841430 c0000280 04d04010 9c0c0581 60588302 a006c023 a4045024 43012600 |