On Target NS5B_HCV1A 0.330855/CHEMBL353549
For the given ligand Linagliptin, we have found in our database that, being scored 0.330855, the most similar ligand is CHEMBL353549. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL353549 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 |
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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 | 0000800a 0120f890 00180100 51850612 200c10e1 00006000 00002000 0220100c 00424980 900918c0 0d30800c 4001b000 5e009c02 00c08800 000204c0 028c000c 10000008 02002004 02e02408 00400201 c0120100 38268e38 23800041 9158001c 00047801 c0004000 08400050 98800000 04400104 04460c43 e00cca00 000006a0 |