On Target ADA2A_HUMAN 0.805/CHEMBL122404
For the given ligand MITRAGYNINE, we have found in our database that, being scored 0.805, the most similar ligand is CHEMBL122404. Check out the elaboration below.
| MITRAGYNINE (Given Ligand) | CHEMBL122404 (Similar Ligand) |
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| CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |
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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 | 0001000a 8100c800 00100103 51010f11 000c1021 00100002 01002000 22003401 11400880 003908c0 88318004 50819000 940088ba 03e08000 02020461 030c010c 00a24205 06000026 00e46418 00000201 40120100 18218a18 21804080 91500010 00142001 c0002001 08005000 90000080 04004346 00860002 2606a200 20006630 |