On Target CXCR4_HUMAN 0.56585366/CHEMBL1644072
For the given ligand MITRAGYNINE, we have found in our database that, being scored 0.56585366, the most similar ligand is CHEMBL1644072. Check out the elaboration below.
| MITRAGYNINE (Given Ligand) | CHEMBL1644072 (Similar Ligand) |
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| CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | COc1ccc(CN(Cc2nc3ccccc3[nH]2)C4CCCc5cccnc45)c(CN)c1 |
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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 | 0000001a 45004008 2010490a 10810e10 00041160 00104000 03042000 22003003 00500900 000808c0 09318004 40818000 00000882 00600800 01020441 020c010c 00002200 06000006 00282408 00020201 40120100 18018020 21804000 00508010 00140000 c0000001 08224040 90000080 00400306 00c60802 60040000 20004680 |