On Target AA1R_HUMAN 0.41314554/CHEMBL411329
For the given ligand MITRAGYNINE, we have found in our database that, being scored 0.41314554, the most similar ligand is CHEMBL411329. Check out the elaboration below.
| MITRAGYNINE (Given Ligand) | CHEMBL411329 (Similar Ligand) |
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| CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | O[C@@H]([C@@H]1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F |
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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 | 00000002 01050800 00104102 50050610 000c10a0 0000c000 00004c00 20000000 00400980 000808f0 0c300004 50018802 98000802 01e08000 001a0040 020c000c 10000020 02000000 00602000 40000201 40000100 18208038 23800000 81400010 00042002 c0000000 08000140 90000010 04000006 00060002 40160000 00002620 |