On Target ACES_HUMAN 0.48557693/CHEMBL1085028
For the given ligand ok, we have found in our database that, being scored 0.48557693, the most similar ligand is CHEMBL1085028. Check out the elaboration below.
| ok (Given Ligand) | CHEMBL1085028 (Similar Ligand) |
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| COc4ccc(c3cc1nccn1c(Nc2ccccc2C(N)=O)n3)cc4OC | [Cl-].CN(C)C(=O)Oc1ccc(cc1)c2cn3c(NC(=O)c4ccccc4)cccc3[n+]2C |
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| 0000a20a 40800808 a0080108 08850600 01001044 0001c000 0204a000 00081800 00c00100 00000840 01208004 60009800 8600c832 00100000 01060041 080c800c 08060040 12006000 0cc90008 10a23200 40000000 4c02a640 b1806840 0040010c 00000000 80000000 00028000 000110e0 0000c20c 00461808 c0041800 400000a2 | 0001c002 00000808 60184188 18010610 00041060 04004008 02048000 02081800 04000300 300008c0 0138800c 4001d800 06009832 00900000 01070841 821c000c 08060800 02006000 0c600000 40e20200 c0100000 5c028e30 31816801 00602104 40040001 c0090082 08028280 800000c0 0001c30c 00461c01 c00c1804 10020380 |