On Target AA2BR_HUMAN 0.34911242/CHEMBL384257
For the given ligand Cocaine, we have found in our database that, being scored 0.34911242, the most similar ligand is CHEMBL384257. Check out the elaboration below.
| Cocaine (Given Ligand) | CHEMBL384257 (Similar Ligand) |
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| CN1C3CCC1C(C(=O)O)C(OC(=O)c2ccccc2)C3 | CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@@]34CC[C@@](CC3)(CC4)C(=O)NCCC(=O)OC |
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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 | 0001002a 01801800 00180500 12010700 04080060 0000c440 01009000 20000400 16400100 800010a0 0c20800c 40819800 0c00900a 00d00000 002a0080 080c100c 00a20000 04008001 02c02018 00000201 80100500 10100e50 218000c1 0030001c 00041001 c0200200 60000000 10040080 00004205 00c60801 c00a0000 60002288 |