On Target GRM8_HUMAN 0.2189781/CHEMBL2418359
For the given ligand D9-1, we have found in our database that, being scored 0.2189781, the most similar ligand is CHEMBL2418359. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL2418359 (Similar Ligand) |
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| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | O=C(N1C[C@@H]2CN(C[C@@H]2C1)c3ccccn3)N4CCC5(CCCC5)C4 |
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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 | 00004002 01001400 00104000 00000e00 20040000 00002010 00000004 20102000 00200000 200001e0 00200004 40030000 00009802 00000000 00020000 00040004 00040000 00004000 08202040 00a00201 60100100 1c0d8410 20800800 00300018 00010000 00000000 00000080 10000080 00008018 01060811 001a1000 00002200 |