Linagliptin (Given Ligand) | CHEMBL380205 (Similar Ligand) |
---|---|
CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | FC(F)(F)c1ccc2nc(N3CCN(CC3)c4ncccc4C(F)(F)F)n(Cc5ccccc5)c2c1 |
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 | 00004006 00800a00 00104160 04050610 000c1044 20004042 00008c00 00001000 00100100 20000ad0 0920800c 40018000 00001802 03402000 002200c0 001c0004 00240020 02804004 08600000 00a00000 c8100000 7e008030 21800861 83700042 00040002 80000000 0a0080c0 90001080 0d408018 00461808 403c1000 000016a0 |