On Target RT_HIV1 0.53571427/CHEMBL4226544
For the given ligand Aspirin, we have found in our database that, being scored 0.53571427, the most similar ligand is CHEMBL4226544. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL4226544 (Similar Ligand) |
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| NC3CCC(CO)/C(=C/1CCCc2ccccc12)C3 | C=C(C)[C@@H]1CC[C@]2(CNCCCO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| 00080000 01000000 00000b02 00010600 22080000 00002000 80080080 00000403 00000800 001808c0 08100200 41018000 00020000 01a00000 00000406 0008000a 00000600 02000040 02412000 00000001 00100100 58000010 0100c020 00400010 01200000 80002001 00406000 c0000000 00400002 00060802 24020000 00000400 | 00000000 01000800 00100302 40050600 00000000 00004000 80000080 20000402 00000900 001808c0 08300000 40018800 00028002 00200000 00000402 00080008 00000400 02000020 02812000 00000201 01000100 18020a30 010080a0 00500014 01200001 80000000 00406000 d0000000 00400002 01060002 e4020000 00002600 |