On Target CXCR1_HUMAN 0.30472103/CHEMBL3609018
For the given ligand Linagliptin, we have found in our database that, being scored 0.30472103, the most similar ligand is CHEMBL3609018. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL3609018 (Similar Ligand) |
|---|---|
| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | OB(O)c1ccc(CN(Cc2ccccc2)c3ncc(cn3)C(=O)Nc4ccc(F)cc4)nc1 |
|
|
|
|
|
|
| 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 | 10004002 01000000 00104182 12010e18 01040820 00104010 00006000 02003001 00000180 20000848 40298004 6000c000 40008802 04101000 00020d40 021c0104 00042000 03004002 08600000 40a00200 c0100000 0c008e00 21812840 00600008 00160000 c0000080 04000040 90000081 0020811c 00468801 c0041000 800042a0 |