On Target HYES_HUMAN 0.34980989/CHEMBL2336737
For the given ligand Linagliptin, we have found in our database that, being scored 0.34980989, the most similar ligand is CHEMBL2336737. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL2336737 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CC(C)Nc1c(nc2ccc(C)cn12)c3ccc(OCC4CCN(CC4)C(=O)Nc5ccc(Cl)cc5)cc3 |
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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 | 04018006 01001008 20184188 10010f30 00141060 0e004048 12048004 20082801 00000100 300008c0 01288104 50019800 06809836 00900000 11060841 820c200c 0c060800 02406004 0c600000 c0e20201 40100100 1c058520 21826800 00700118 00152003 80180000 080a8600 100010c4 0043c20c 00460c01 400c1800 02024a80 |