On Target AA2AR_HUMAN 0.5103735/CHEMBL3929822
For the given ligand MITRAGYNINE, we have found in our database that, being scored 0.5103735, the most similar ligand is CHEMBL3929822. Check out the elaboration below.
| MITRAGYNINE (Given Ligand) | CHEMBL3929822 (Similar Ligand) |
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| CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | COc1cccc2c(nc(N)nc12)C(=O)N[C@H]3CCCc4cccnc34 |
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| 0001000a 4300c808 2010010a 51010f10 000c1020 80100002 070c2000 22003409 11400880 003908c0 08318004 50819000 9400889e 21e08000 03020461 020c010c 00824201 06000026 006c2418 00060201 40120100 18218a18 21804000 91500010 00142000 c0002001 08325000 90000080 04004306 00860002 24068200 20246630 | 0000000a 01805808 6010410b 10850e10 01041124 00104004 030c2000 2a003007 00500900 400808c0 09398004 40858800 00008886 08700800 010204c5 020c010c 00042208 06000006 80602408 00220a01 c0120100 1c078628 20804840 0070011c 00146800 c0000601 08224060 90000080 0040030e 00c60003 e0048000 200046a0 |