On Target AA1R_HUMAN 0.29078013/CHEMBL2112177
For the given ligand ttt, we have found in our database that, being scored 0.29078013, the most similar ligand is CHEMBL2112177. Check out the elaboration below.
| ttt (Given Ligand) | CHEMBL2112177 (Similar Ligand) |
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| C=C2CC13CC(=O)C4C6(C)CN(C)C5C1C(=O)C2CC3C45CC(O)C6O | CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n3cnc4c(NC5CCCC5)ncnc34 |
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| 00070000 01000000 00100000 00000400 00180000 00000000 00000000 20000400 00000040 00128080 00200000 50011000 0c00803a 01800000 00000400 00080008 00000000 00000000 02c12010 00000201 00000000 10000210 05000080 00100010 00001001 00000000 00000000 90001000 00000000 01040000 24020000 00802a00 | 0007000a 01801800 80180000 08080620 20180060 0000e010 00008000 00100800 00600100 00800080 0020800c 40031000 14009038 03800000 000a0081 100cc00c 00040000 00004080 0ac02000 80200001 80100000 10040670 278040c4 04100014 00000002 00100000 00000500 100000b0 00020008 01460001 c00a1000 00000ac0 |