On Target CASP1_HUMAN 0.4509804/CHEMBL1221643
For the given ligand mi, we have found in our database that, being scored 0.4509804, the most similar ligand is CHEMBL1221643. Check out the elaboration below.
| mi (Given Ligand) | CHEMBL1221643 (Similar Ligand) |
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| CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C=O |
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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 | 00070002 01001800 00100100 51010610 00041020 00000000 00002000 20000004 00600080 000908c0 08200004 4003b000 1e008802 00608000 80020040 020c000c 00000200 02000005 00e00410 00000201 40000000 18308e08 21804080 91500018 00043001 80000000 08000000 10000000 04000006 00060003 20044200 00802620 |