On Target PTAFR_HUMAN 0.40625/CHEMBL2304167
For the given ligand Cocaine, we have found in our database that, being scored 0.40625, the most similar ligand is CHEMBL2304167. Check out the elaboration below.
| Cocaine (Given Ligand) | CHEMBL2304167 (Similar Ligand) |
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| CN1C3CCC1C(C(=O)O)C(OC(=O)c2ccccc2)C3 | CC1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6OCOCc7ccccc7)O[C@@]4(C(=O)O5)[C@@]12O |
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| 00010000 01000800 00100100 00010700 000c0050 00204010 00000000 20000000 00000100 010008c0 00200000 50019000 1c00801a 01890000 00000000 02081008 00a20000 02000000 01c02010 00000201 00000020 18020a30 01000080 00500014 00001401 80002000 00088000 10001000 00000200 0006000e c0020000 02002200 | 00050040 01000000 00000500 00810b00 08280040 00004000 00002800 08002040 00202100 01020860 04000000 4000d000 14008028 02810000 00080000 0a289008 00820000 82000100 1140a000 00000001 00100020 18010a20 05000000 08400014 00000400 c0002000 00000000 24000020 00000200 0102000a 40a20000 00000000 |