On Target AOFA_HUMAN 0.4/CHEMBL2313296
For the given ligand Linagliptin, we have found in our database that, being scored 0.4, the most similar ligand is CHEMBL2313296. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL2313296 (Similar Ligand) |
|---|---|
| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CN1C(=O)N(C)c2cc(\C=C\c3ccc(F)cc3)n(C)c2C1=O |
|
|
|
|
|
|
| 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 | 0000002a 00800800 00100900 12050f00 000c0060 0000c050 800082a2 08000408 16400104 c00018e0 0d00010c 40018000 00009800 00e01000 803e00c2 000c0004 08800400 02808004 00620000 00300000 c0000080 1a008070 21800041 00710100 00040000 c2000001 2040a040 40040211 00404004 00468840 64080200 020022a0 |