On Target RT_HIV1 0.2900433/CHEMBL4288759
For the given ligand Linagliptin, we have found in our database that, being scored 0.2900433, the most similar ligand is CHEMBL4288759. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL4288759 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | O=c1nc(Nc2ccc(-c3cnc4ccccc4c3)cc2)c2cccnc2n1O |
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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 | 01002002 00c00800 00084100 48090610 00041000 04004108 00009010 40000800 04002100 00000860 04300004 40049000 04008800 00c080c0 003000c0 900c0014 00060040 12014004 0c60000a 10200002 40802000 08078068 30804040 80c00004 00040001 c0080000 2a008280 000000e0 0040c008 00460000 c0040000 800000c0 |