On Target OPRK_HUMAN 0.39051095/CHEMBL3086306
For the given ligand test molecule, we have found in our database that, being scored 0.39051095, the most similar ligand is CHEMBL3086306. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL3086306 (Similar Ligand) |
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| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3 |
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| 10034043 01000019 2018098c 00010610 81000000 10024508 4040c580 18129409 00000900 a0000873 48302a04 50008600 08008008 00210001 21022803 801c200c 00820000 0200408c 04400010 c0a60000 84020001 08082e80 60a00c40 10414828 02041081 cc082980 00220a00 b0000744 0000430c 044e2001 c4005000 8c210380 | 02030002 43000308 2018098a 01810614 09001320 40000402 0344a1a0 38028009 00500880 204c18c2 0830aa00 5081a400 0800800a 21201a01 01c22821 0206000c 00000200 06004080 00082018 80a24201 00300900 18f82690 64404800 d1514010 02045880 8f000c05 00320000 10000784 0402020e 040e200b 08021000 24252710 |