On Target NS5B_HCV1B 0.3043478/CHEMBL3645202
For the given ligand Linagliptin, we have found in our database that, being scored 0.3043478, the most similar ligand is CHEMBL3645202. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL3645202 (Similar Ligand) |
|---|---|
| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 |
|
|
|
|
|
|
| 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 | 00074006 0180de08 20180902 41310f00 211c0000 00004042 02040000 22001408 00100900 004909e0 09312024 40119800 84008c3b 01c00201 808a0040 000e200e 04a68000 02000104 08602008 00225203 e0100101 1c8b8e38 2180c800 9370001c 02104080 c0000048 00270280 9000108c 0c488306 0146005b c4068088 a8916fe0 |