On Target PR_HIV1 0.20220588/CHEMBL3645129
For the given ligand Linagliptin, we have found in our database that, being scored 0.20220588, the most similar ligand is CHEMBL3645129. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL3645129 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CC2OCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1 |
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| 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 | 00000010 01c05400 01100102 01b10700 00280088 0002c004 00000800 a8000004 00740b00 014809e0 08302000 60018000 00008002 02200101 80e80000 003a0008 10822000 02080000 11408800 01007603 80000100 18380cb0 07100040 d9500058 02000000 8000100e 00000000 3420002c 04000600 2106001b c0a00000 00012670 |