On Target ESR1_HUMAN 0.4097561/CHEMBL1318094
For the given ligand Linagliptin, we have found in our database that, being scored 0.4097561, the most similar ligand is CHEMBL1318094. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL1318094 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | O=C(CCCCCN1C(=S)Nc2ccccc2C1=O)N3CCN(CC3)c4ncccn4 |
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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 | 00050012 01002000 00100000 04000600 000c0000 00004060 02002000 20000808 06000100 e00c08e0 0120000c 40019000 0400900a 00e02000 000000c0 001c0004 20000000 0100c100 00602020 00a10201 c0000000 3e000638 21800861 02300018 00000000 80000000 20000000 10040000 08004018 00470801 40081000 00010288 |