On Target NS3_HCV1B 0.29787233/CHEMBL3125634
For the given ligand Linagliptin, we have found in our database that, being scored 0.29787233, the most similar ligand is CHEMBL3125634. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL3125634 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O |
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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 | 1001403a 05801800 011815e2 51b50e30 0408014c 08016040 0500ac05 00883101 16e00a01 f0083af0 08b8a06c 6010b980 05088808 03700801 80a309c2 08140004 8e246080 46504000 8a402408 00a06003 e0120580 78238700 21026800 0860041e 17048802 c1000704 48000410 900010ac 08048c1e 20c61811 803e2000 600383e8 |