On Target NEP_HUMAN 0.3319149/CHEMBL34369
For the given ligand Linagliptin, we have found in our database that, being scored 0.3319149, the most similar ligand is CHEMBL34369. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL34369 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | OC(=O)Cn1ccnc1NC(=O)[C@@H](CC(COc2ccccc2)C(=O)O)Cc3ccc(cc3)c4ccccc4 |
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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 | 04012006 01000a08 a018010a 00010700 00081040 02208000 02000000 00100000 00000910 210e08c0 08308008 4001b800 1480903a 01a00000 11200081 080ca00c 00820000 42004000 05402008 10a20001 80000100 58000e40 37004820 06500016 00000800 80000000 02000000 10000070 0100420a 0046100b 40081000 00000700 |