On Target MK03_HUMAN 0.40723982/CHEMBL1950289
For the given ligand Linagliptin, we have found in our database that, being scored 0.40723982, the most similar ligand is CHEMBL1950289. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL1950289 (Similar Ligand) |
|---|---|
| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | O[C@@H]1CC[C@H](CC1)Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]5CCOC5)c3n2 |
|
|
|
|
|
|
| 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 | 0001000e 01801808 80180208 82010600 01180060 0000c010 0000a200 00100800 00400100 208508c0 0820800c c0019000 04001000 00881000 000810c0 100cc04c 00241400 10004000 1ac02008 10a01001 c0400000 5c000050 27804840 04500014 40000400 00000000 04000200 100100b1 01008208 00469800 c0081000 00000a88 |