On Target AA1R_HUMAN 0.38036808/CHEMBL3350613
For the given ligand Cocaine, we have found in our database that, being scored 0.38036808, the most similar ligand is CHEMBL3350613. Check out the elaboration below.
| Cocaine (Given Ligand) | CHEMBL3350613 (Similar Ligand) |
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| CN1C3CCC1C(C(=O)O)C(OC(=O)c2ccccc2)C3 | CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)OCc3ccccc3 |
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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 | 01030000 01407400 00100102 84010700 00080080 0001c010 00000000 2000000c 00b00b80 000809e0 08300000 4003b000 0e008012 01212002 80381008 021a1008 10820000 02080401 00400890 00000201 00000120 38280eb0 13000041 83500018 00004400 80002002 00000000 10200021 0c000202 00060013 e0004000 00802600 |