On Target AOFB_HUMAN 0.5771144/CHEMBL239230
For the given ligand Linagliptin, we have found in our database that, being scored 0.5771144, the most similar ligand is CHEMBL239230. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL239230 (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(C)c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2C1=O |
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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 | 0001802e 00801c00 00380100 02010700 00080040 0000c040 0000a000 00100800 06600190 a00809e0 0c20800c 40019800 06009026 01c42000 00280080 100c000c 00900000 0208c000 00400000 00a00200 80000100 5c200140 21804841 81700014 40042000 c0200000 62040000 00040001 05004018 00461812 c0081000 80022688 |