On Target NS3_HCV1A 0.33699635/CHEMBL3951705
For the given ligand Linagliptin, we have found in our database that, being scored 0.33699635, the most similar ligand is CHEMBL3951705. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL3951705 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CC(C)c1ccc2c(Nc3cc(C#Cc4ccc(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](Cc5ccccc5)N(C)C)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1 |
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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 | 1001420a 01827a00 001a4920 1c190600 24442020 00006010 00009010 20000808 10002900 00080ad0 08399004 6081b800 06008813 0091a001 80020440 1a0c0006 04041000 72004000 0860000a 12200201 c1100100 38a48660 20806043 8358001f 00044804 80000200 02a080d0 10800080 0e40820c 0146000b e000c000 200126e0 |