On Target CNR1_HUMAN 0.38367346/CHEMBL562668
For the given ligand Linagliptin, we have found in our database that, being scored 0.38367346, the most similar ligand is CHEMBL562668. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL562668 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CCNC1(CCN(CC1)c2ncnc3c2nc(c4ccccc4Cl)n3c5ccc(Cl)cc5)C(=O)N |
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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 | 0003c00a 01801e00 00180100 18090e20 20080060 0000e010 00009000 28181800 10600100 100019e1 0020800c 5003b808 06009806 00100200 000e00c1 180c000c 08040008 02006200 00400000 80600201 e0100000 38048740 21806044 83510014 00002002 c1100240 00088400 10000080 0c02001c 00460c18 c0045800 008206c0 |