On Target COMT_HUMAN 0.2555066/CHEMBL3425740
For the given ligand test, we have found in our database that, being scored 0.2555066, the most similar ligand is CHEMBL3425740. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3425740 (Similar Ligand) |
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| COc2ccc1C[C@H]4N(C)CC[C@]35c1c2O[C@H]3C(=O)CC[C@@]45O | CCCC(O)C1=CC(=O)C(=CN1c2cccc(c2)c3ccccc3)O |
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| 04051000 43000208 2010050a 00210700 001810e1 c2000002 07041000 20008241 00050880 010818c0 08340000 5081d140 0480c01a 22a00080 110c0021 020ca018 18800200 a2008000 07482008 00020201 00000100 18200210 03004040 83500410 00000800 c0000001 00120208 10000000 04000302 0006c80a 00020000 00002e40 | 0000200a 01000a08 60005102 10010610 00041428 04004004 15800000 00201100 02100b00 800808c0 08108004 40818000 00008805 00600200 00020040 020c000c 00028000 06804004 04600008 00060001 40000100 18008030 31800002 81500414 02042400 c0080040 08520260 000500c0 04404004 0a86000a c0040000 60200400 |