On Target NK1R_HUMAN 0.4140625/CHEMBL311712
For the given ligand Linagliptin, we have found in our database that, being scored 0.4140625, the most similar ligand is CHEMBL311712. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL311712 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CCN(C\C(=N/OC)\[C@H](CCN1CCC(CC1)N2C(=O)N(Cc3ccccn3)c4ccccc24)c5ccc(Cl)c(Cl)c5)C(=O)c6cc(Cl)cc(Cl)c6 |
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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 | 00008002 0d801e00 01104121 10010f00 800c0060 080040a0 04000040 22005003 043089c0 900809e9 0d33800c 50018800 02009826 01c40401 883204c0 020c101c 00900000 02044000 00600400 00600201 c0000100 18068730 e18018c1 8174009c 00102000 c6100004 48040040 900c0000 04000104 00460a1b f00c0000 02026e80 |