On Target AA3R_HUMAN 0.69902915/CHEMBL2107804
For the given ligand cocaine, we have found in our database that, being scored 0.69902915, the most similar ligand is CHEMBL2107804. Check out the elaboration below.
| cocaine (Given Ligand) | CHEMBL2107804 (Similar Ligand) |
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| COC(=O)[C@H]2[C@@H](OC(=O)c1ccccc1)C[C@H]3CC[C@@H]2N3C | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c3cc(Cl)cc(Cl)c3 |
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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 | 00008000 11000800 00100100 00010700 00080010 00004030 04000000 20000000 00000100 000008c0 00200000 50018800 02008006 00890400 80000000 02081008 00a20000 02000000 00c02000 00000201 00000020 18020b30 01000080 00500014 00002401 80002000 00080000 10001000 00800200 00060806 c0020000 02022200 |