On Target MSHR_HUMAN 0.3271605/CHEMBL569694
For the given ligand D9-1, we have found in our database that, being scored 0.3271605, the most similar ligand is CHEMBL569694. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL569694 (Similar Ligand) |
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| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | NC(=N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCc3ccccc3)C(=O)N |
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| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 04010002 01003200 00100102 05810e10 04000240 00000000 00002020 2000200c 00700b80 00090ac2 28308000 5003b800 06009012 00302801 81020000 001c0004 00000000 0e000000 00000018 40000201 20000d00 38250620 21000003 93500018 00041800 80000200 40000000 10000100 0c000014 0046000b e0084000 20402600 |