On Target COMT_HUMAN 0.3902439/CHEMBL4538981
For the given ligand WIN, we have found in our database that, being scored 0.3902439, the most similar ligand is CHEMBL4538981. Check out the elaboration below.
| WIN (Given Ligand) | CHEMBL4538981 (Similar Ligand) |
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| Cc4c(C(=O)c1cccc2ccccc12)c6cccc5OC[C@@H](CN3CCOCC3)n4c56 | COc1ccccc1CN1CCn2cc(O)c(=O)cc2C1 |
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| 0c000002 00801c08 60100109 d001061a 000450b0 06008104 0e842401 01200004 00600000 000a08c0 08200004 40058000 00808806 08608000 011a1849 020c610c 10214000 82800004 08a00400 00064200 c0000020 38268618 33804080 8650801c 08042441 e0000000 08120200 50000011 0a040284 40060052 a0044200 00000660 | 00000002 00000408 60104108 50010e00 00041028 00100144 0e800000 02203401 02200000 801108c0 08210004 40018000 00009806 00400000 01020c01 0204210c 00006000 02004002 00200000 00060000 40000001 38218010 20800000 42500000 08112400 c0000000 00220060 80060000 08040304 04060010 04040000 40004200 |