On Target CXCR4_HUMAN 0.37401575/CHEMBL570967
For the given ligand Linagliptin, we have found in our database that, being scored 0.37401575, the most similar ligand is CHEMBL570967. Check out the elaboration below.
| Linagliptin (Given Ligand) | CHEMBL570967 (Similar Ligand) |
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| CC#CCn2c(N1CCC[C@@H](N)C1)nc5c2c(=O)n(Cc4nc(C)c3ccccc3n4)c(=O)n5C | CN1CCN(CC1)c2cccc3nc(CN(Cc4ccccc4)[C@H]5CCCc6cccnc56)cn23 |
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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 | 1001400a 01004000 001041a2 1c810e10 00041160 00104000 0100e000 2a003803 00500900 20080ac0 49318004 4081d800 04000882 00b02800 00060c40 021c0104 08062a00 06004006 88202408 40a00201 40120100 7e018820 21804820 02700112 00140000 c0000401 0800c0c0 90000080 0840811e 00c61802 60041000 a0004680 |