On Target CASP1_HUMAN 0.37155962/CHEMBL1221691
For the given ligand Linagliptin, we have found in our database that, being scored 0.37155962, the most similar ligand is CHEMBL1221691. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL1221691 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(=O)O)C=O |
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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 | 00070002 01003c00 00100100 50050600 001c0060 00004000 00000000 20000000 00200100 000018c0 0120900c 4003b000 0e009002 01608000 800208c0 020c000c 00004000 02800005 00e00010 00000201 c0000000 38100e30 21800081 02500018 08001001 c0000000 00400040 10000000 08440006 00460851 60084000 00802aa0 |