On Target AA1R_HUMAN 0.63492066/CHEMBL3091482
For the given ligand Linagliptin, we have found in our database that, being scored 0.63492066, the most similar ligand is CHEMBL3091482. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL3091482 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CN1C(=O)N(CC#C)C(=O)c2c1nc3N(CCCn23)C4CCC4 |
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| 0001022e 01801800 00382160 92050700 804c2160 0000c002 0000b200 00100801 86600110 b00008e0 0d21800c 50039800 04009002 00d0a000 003a00c0 120c000c 00a00000 0208c000 00600000 00a00201 c0000100 7e000068 618858c1 02700194 50140000 c0200008 62000000 100c1000 0900401c 00465a00 c0081002 80004aa0 | 0001002e 00801c00 00b80000 82010700 00482140 0000c040 0000a000 20100800 86600110 a00001e0 0c20800c 40011000 04009002 01c42010 00380080 100c000c 00900000 0008c000 00400000 00a00201 80000100 5c000040 21804841 00700014 40040000 c0200000 62000000 10040001 01004018 00465810 c0081000 8000228a |